PUBLICATIONS

OF

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ar NBS MONOGRAPH 25-SECTION 20

U.S. DEPARTMENT OF COMMERCE/National Bureau of Standards

100

.U556

Mo. 25

Sect. 20"

1934

Standard X-ray Diffraction

Powder Patterns
NATIONAL BUREAU OF STANDARDS

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RATIONAL BUHEW

Standard X-ray Diffraction °^ssr^

Powder Patterns ^

^

Section 20 — Data for 71 Substances , ,

/ Oo

U5SG

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, . ZO

Boris Paretzkin, Harry S. Parker, and Nikos P. Pyrros

j

International Centre for Diffraction Data C

^

1601 Park Lane

Swarthmore, PA 19081

and

Camden R. Hubbard

National Measurement Laboratory

National Bureau of Standards

Washington, DC 20234

International Centre for Diffraction Data

U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary

NATIONAL BUREAU OF STANDARDS, Ernest Ambler. Director

Issued January 1984
Library of Congress Catalog Card Number: 53-61386

National Bureau of Standards Monograph 25

Section 20— Data for 71 Substances

Natl. Bur. Stand. (U.S.), Monogr. 25—Sec. 20, 1 49 pages (Jan. 1984)

CODEN: NBSMA6

U.S. GOVERNMENT PRINTING OFFICE

WASHINGTON: 1984

For sale by the Superintendent of Documents, U.S. Government Printing Office, Washington, DC 20402
CONTENTS

Page

Introduction 1

Experimental patterns:

Barium cadmium phosphate,

BaCd(P03)4 7 Barium titanium oxide, BaTiOs 9 Barium titanium oxide, BaTi205 11 Barium titanium oxide, BaTi40g 13 Barium titanium phosphate,

BaTi4(P04)6 15 Barium zirconium phosphate,

BaZr4(P04)6 17 Bismuth germanium oxide,

Bi4(Ge04)3 18 Bismuth germanium oxide,

Bii2Ge02o 19 Bismuth titanium oxide, Bii2Ti02o •• 21 Boron nitride, BN 22 Boron phosphate, BPO4 23

Cadmium aluminum oxide, CdAl204 24

Cadmium zinc phosphate,

Cdo.9Zn2.i(P04)2 26

Calcium iron silicate (kirschsteinite)

,

CaFeSi04 28 Calcium magnesium silicate (monticellite), CaMgSi04 30

Calcium magnesium silicate (akermanite)

,

Ca2MgSi207 32 Calcium magnesium silicate (merwinite),

Ca3Mg(Si04)2 34 Calcium manganese phosphate fluoride,

Ca8Mn2(P04)6F2 35 Calcium zirconium phosphate,

CaZr4(P04)6 36

Cerium oxide (cerianite), Ce02 38

Cesium hydrogen phosphate,

CsH5(P04)2 39 Cesium zirconium phosphate,

CsZr2(P04)3 41 Chromium tungsten oxide, CrW04 43

Cobalt telluride, CoTe 45 Copper chromium oxide, CuCr204 46

Copper iron oxide, CuFe204 47 Copper mercury iodide, p-Cu2Hgl4 .... 48

Europium oxide, EU2O3 (cubic) 50

Europium oxide, EU2O3 (monoclinic) .. 52

Hafnium oxide, Hf02 54

Iron niobium oxide, Fe(Nb03)2 56 Iron niobium oxide, Fe4Nb209 58 Iron silicate (fayalite), Fe2Si04 ... 59 Iron titanium oxide (ulvospinel)

,

Fe2Ti04 61 Lanthanum boride, LaBg 62

Lithium thorium molybdenum oxide,

Li4Th7(Mo04)i6 63

Lithium thorium tungsten oxide,

Li4Th7(W04)i6 64

Lithium titanium oxide, Li2Ti307 .... 66

Magnesium manganese zinc iron sulfate

hydroxide hydrate, zincobotryogen

,

(Zn,Mg,Mn)Fe(S04)2(0H) •7H2O 67 Magnesium silicate (clinoenstatite)

,

M8Si03 69

Page

Magnesium silicate (forsterite)

,

Mg2Si04 71 Potassium barium niobium oxide,

KBa2(Nb03)5 73 Potassium strontium niobium oxide,

KSr2(Nb03)5 74 Potassium titanium phosphate,

KTi2(P04)3 76

Potassium zinc phosphate, KZnP04 .... 77 Rubidium hydrogen phosphate,

RbH2P04 79 Rubidium phosphate, RbP03 80 Rubidium strontium niobium oxide,

RbSr2(Nb03)5 81 Sodium antimony fluoride, NaSbF4 .... 82

Sodium barium niobium oxide,

NaBa2(Nb03)5 83

Sodium germanium phosphate,

NaGe2(P04)3 84

Sodium iron silicate (acmite),

NaFe(Si03)2 86

Sodium molybdenum oxide hydrate,

Na2Mo04-2H20 87 Sodium strontium niobium oxide,

NaSr2(Nb03)5 89 Strontium aluminum oxide, SrAl204 ... 91 Strontium silicate, a-SrSi03 93 Strontium zirconium phosphate,

SrZr4(P04)6 94 Tantalum tungsten oxide, Ta2W08 96 Thorium molybdenum oxide,

a-Th(Mo04)2 98 Thorium molybdenum oxide,

p-Th(Mo04)2 100 Thorium silicate (huttonite),

p-ThSi04 102 Thorium tantalum oxide, Th2Ta209 .... 104 Thorium tungsten oxide, a-Th(W04)2 106 Vanadium oxide (karelianite) , V2O3 .. 108 Ytterbium fluoride, YbF3 109 Zinc vanadium oxide, Zn3(V04)2 lH

Zirconium boride, ZrB2 113 Zirconium hydrogen phosphate hydrate,

Zr(HP04)2-H20 114 Zirconium titanium oxide, ZrTi04 .... 115 Zirconium titanium oxide,

Zr5Ti7024 116

Calculated pattern:

Molybdenum oxide (molybdite), M0O3 .. 118

Cumulative indices

(Circular 539, Volumes 1-10 and Monograph 25,

Sections 1-20 inclusive)

1. Inorganic 120

2. Organic formula 137

3. Organic name 140

4. Mineral 143

iii
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Publications Available .

Previous work has been published as a book entitled Powder Diffraction Data from the Joint Committee

on Powder Diffraction Standards Associateship at the National Bureau of Standards (1976) (obtainable from

the publisher: JCPDS--International Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081,

price furnished on request). The volume is sold with an accompanying search manual, and contains 949

card images of patterns of experimental data, published originally as Circular 539 (vols. 1-10) and Mono- graph 25, Sections 1-12, and most of Section 13.

Individual copies of the Circular and Monograph are still available and may be obtained from the

National Technical Information Service, 5285 Port Royal Road, Springfield, VA 22161. If a publication

listed below is identified with a number, use this number in ordering. All are available in photocopy

or microfiche; the price is not fixed and will be furnished on request.

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Section 19 SN 003-003-02462-7

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Monograph 25

ERRATA

Section 7, p. 160: The space group should be P2^/a (14).

Section 19, p. 24: The date for the Mitchell reference (3 locations) should be 1956.

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 20 Data for 71 Substances

by

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans,

Boris Paretzkin, Harry S. Parker, and Nikos P. Pyrros

JCPDS--International Centre for Diffraction Data

and

Camden R. Hubbard

National Bureau of Standards

Standard x-ray powder diffraction patterns are presented for 71 substances. These

patterns, useful for identification, were obtained by manual or automated dif f ractometer

methods, or were calculated from published crystal structure data. The lattice constants from the experimental work were refined by least-squares methods, and reflections were assigned Miller indices consistent with space group extinctions. Relative intensities,

calculated densities, literature references, and other relevant data are included.

Key words: Crystal structure; densities; lattice constants; powder patterns; reference

intensities; standard; x-ray diffraction.

INTRODUCTION

The Powder Diffraction File (PDF) is a con- tinuing compilation of diffraction patterns gathered

from many sources. Produced and published by the

JCPDS--lnternational Centre for Diffraction Data^,

the PDF is used for identification of crystalline

materials by matching d-spacings and diffraction

intensity measurements. Under the partial sponsorship of the JCPDS, the program at the National

Bureau of Standards contributes new or improved

data to the PDF. Our work also aids in the development of diffraction techniques. This report

presents information for one calculated and 70 experimental patterns, and is the thirtieth of

the series of Standard X-ray Diffraction Powder

Patterns ^

.

EXPERIMENTAL POWDER PATTERNS

Names . The nomenclature follows the current practice of the PDF. A mineral name in ( ) indi- cates a synthetic sample.

CAS registry number . The Chemical Abstracts

Service Registry Number is included, when available, to help identify the sample. This number

forms the basis for computer aided searching of

Chemical Abstracts [Chemical Abstracts Service

Registry Handbook-Number Section , 1974]

^ JCPDS- -International Centre for Diffraction Data,

1601 Park Lane, Swarthmore, PA 19081. This Penn- sylvania non-profit corporation functions in co- operation with the American Ceramic Society, the

American Crystallographic Association, the American Society for Testing and Materials, The Clay

Minerals Society, The Institute of Physics, the

Mineralogical Association of Canada, the Mineralogical Society of America, The Mineralogical

Society of Great Britain and Ireland, the National

Association of Corrosion Engineers, and the Societe

Francaise de Mineralogie et de Cristallographie

.

^See previous page for other published volumes.

Sample . The samples used to make NBS patterns were obtained from a variety of sources or were prepared in small quantities in our laboratory.

Appropriate annealing or recrystallization of the

samples improved the quality of many of the patterns. A check of phase purity was provided by

indexing the x-ray pattern and by optical examination .

Color. The names of the sample colors are selected from the ISCC-NBS Centroid Color Charts

[1965] .

Interplanar spacings . All spacing determinations were made using one or more internal standards

mixed with the sample, packed in a shallow holder.

Choice of the standard was determined by the need

for low angle and unobstructed reflections. The amount of standard was estimated so that the in- tensity of its strongest peak would be about

equal to the intensity of the strongest peak of

the sample. The internal standards used were of

high purity (99.99%). The calculated 26 values

used for them at 25 °C are given in Tables 1 and

2; the 26 angles were computed using cell dimensions uncorrected for index of refraction.

Standard Reference Material 640a [1982], Si

powder (a=5

.

430825a) , was used for many patterns.

The SRM 640a lattice constant for Si was refined

from multiple powder data measurements made with

tungsten and silver as internal standards. Single

crystal cell parameter data were also collected.

The lattice parameters from the two methods agreed

within three parts in 10^ [Hubbard, 1982]. D- spacing results using SRM 640a will be in agree- ment with patterns recorded in this series of

Monographs since 1966.

Another internal standard, f luorophlogopite

(FP) , is available as Standard Reference Material

675 [1982]. The d(OOl) spacing was refined from

multiple powder data measurements using SRM 640a

(Si) and tungsten as internal standards [Hubbard,

1
1983]. The calculated 26 values of the 005

lines are given in Table 2.

Table 1

0 Calculated 26 Angles , CuKa^ A = 1 .540598A

w Ag o Si

hk£ a=3.l6524A a—

4

0865 lA a=5 430825A

±.00004 + 00002 + 000011

(SRM 640a)

1 1 U t4U . ZDZ

111 3o 1 12 28 443

200 58.251 zy 5 211 73.184

220 86.996 64 437 47 304

^ 1 n 1 no

311 i f o n r\ 56 124

222 114.923 81 533

321 131.171

400 153.535 97 875 69 132

331 110 499 76 378

420 114 914

422 134 871 88 033

511/333 156 737 94 955

440 106 712

531 114 096

620 127 550

533 136 900

444 158 644

Table 2

SRM 675, Fluorophlogopite (FP)

d = 9.98104A

± 0.00007

Calculated 26 Angles, CuKa^ K = 1.540598A

00£ 26

1 8 853

2 17 759

3 26 774

4 35 962

5 45 397

6 55 169

7 65 399

8 76 255

10 101 025

11 . 116 193

12 135 674

All data were collected at room temperature

on a diff Tactometer equipped with a focusing

graphite crystal monochromator located between the

sample and the scintillation counter. Pulse height

discrimination was used as well. The data were

collected using copper radiation: ACCuKa^, peak)

= 1.540598A [Deslattes and Henins, 1973].

The majority of the patterns reported in

this monograph were measured with a computer con- trolled diff Tactometer . Digital data were mea- sured on one of two diff Tactometers controlled by

the AUTO program [Snyder et al., 1981]. All the

patterns were measured in step-scan mode with a step width of 0.01 degrees and counting times at each point greater than or equal to 3 sec.

The data were processed with the JCPDS-NBS

POWDER -PATTERN system of programs [Pyrros and

Hubbard, 1983]. First the raw data were processed

by the program POWDER . PATTERN that locates peaks

with the second derivative algorithm of Savitzky

and Golay [1964]. A three point Newton-Gregory

interpolation [Daniels, 1978] was used to locate

the derivative minimum. For some patterns, weak

peaks were read from strip chart recordings or were located with the interactive graphics program

PLOT. PATTERN /I NT. This program displays the spec- trum on a Tektronix graphic terminal. The user can locate peaks by positioning a cursor at the peak.

The peak position is defined either as the position of the cursor or as the minimum of the second

derivative nearest to the cursor. The peaks were occasionally read to assist in establishing

a Kdi peak position, but peaks are not reported

.

All patterns were plotted on paper with the

plot program PLOT . PATTERN /HRD on a scale of one degree per inch and were visually inspected. The

program POWDER . CALIBR was used to calculate a polynomial correction curve from the expected

and observed 26 peak positions of the internal

standard reflections and to correct the observed

26 values of the sample. At low angles, Ka^ and

peaks were unresolved for both the sample and

the internal standard. Internal standard corrections were established from the theoretical values

for Ka^ and were applied to the unresolved low

angle peaks, as well as to the resolved Kaj peaks

in the higher angle regions. The program

POWDER . EDTPKS was used to flag reflections to be

used in the least-squares cell parameter refinement. Reflections due to CuKa2 radiation were excluded from the refinement.

Structure, lattice constants . The space group

symbols are given in the short Hermann-Mauguin notation. Also given are the space group numbers listed

in the Interna tional Tables for X-ray Crystallography , Vol. I [1965]. When the space group symbol is not

known, the lattice centering symbol or the diffraction aspect for the Laue class may be given [Donnay

and Kennard, 1964; Mighell et al., 1981].

Orthorhombic cell dimensions are arranged ac- cording to the Dana convention b>a>c [Palache et al.,

1944] . Monoclinic and triclinic lattice constants

are transformed if necessary in order to follow the

convention of Crystal Data [1973]. The lattice constant ratios, a/b, c/b, and c/a, also follow

the conventions used for the determinative ratios

in Crystal Data [1973].

In most cases, preliminary lattice constants

were available in the literature, and were used

for the initial indexing and refinement. In cases where such data were not available, other methods

were tried. If suitable single crystals were

2
available, the lattice constants were obtained

by use of a four-circle dif f ractometer . Axial

ratios and densities from Groth [1908] were some- times useful. Cell constants were also found in some instances by use of Visser's computer program,

Ito 9 [Visser, 1969]

.

A least squares program, JCPDS-NBS-LSQ82

,

derived from the program of Evans, Appleman and

Handwerker [1963], assigned hk£'s and refined the

lattice constants. The cell refinement was based

only upon corrected 26 values (IQ^^^^) which could

be indexed without ambiguity. The program minimized

the value 1(6^-9calc^^' Generally, when two or more calculated 26' s were within 0.03 degrees of

the corrected 26, unique indices were not assigned.

The possible multiple indices are reported. A plus

sign (+) indicates more than 2 possible indices.

Multiple hk£'s were not utilized or reported in

indexing cubic patterns. Instead, a single appropriate index was used.

The estimated standard deviations (e.s.d.'s)

of the reciprocal cell parameters were determined

from the inverse matrix of the normal equations.

The program calculated the e.s.d.'s of the direct

cell constants by the method of propagation of errors. Since 1973, the e.s.d.'s derived by the

computer program have been increased by 50% in

order to reflect more truly the uncertainty in

the lattice constants. A similar increase should

also be applied to all lattice constants published

in this series of NBS publications prior to 1973. The e.s.d.'s in the least significant figures are given in parentheses following the lattice constants.

For each d-value, the number of significant

figures was derived from the average error in

\2Q^^^^ - 2e^^i^\ and the equation Ad/d = -(cote)Ae.

With these conditions, the rounded value of d agrees with its appropriate 29 within the average

error in 29. The value of A6 varies with the

symmetry and crystallinity of each sample.

Densities. These were calculated from the

specified lattice constants, the Avogadro number

6.0220943 x 10^3 [Deslattes et al., 1974] and the

1977 atomic weights published by the International

Union of Pure and Applied Chemistry [1979].

Figures of merit . Several figures of merit

ratings are available for assessing indexed powder

data. M20 [de Wolff, 1968] is a criterion for the

reliability of the unit cell and indexing. M20 is defined by:

Q20

M20 = -I

2e N20

where Q20 is the value of 1/d^ for the 20th

observed line (not counting unexplained lines),

N20 is the number of different calculated Q values

up to Q20) 3nd £ is the average magnitude of the

discrepancy in Q for these 20 lines. The number

of unindexable lines occuring up to the 20th observed and indexed line is X2o- A value of M20

10 will guarantee the essential correctness of the

indexing provided there are not more than 2 spurious lines (X20 1 2) [de Wolff, 1968]. In general,

patterns reported in this publication had M20 20 and X20 = 0. M20 is reported if a cell was derived

only through computer indexing from powder data,

without further confirmation.

The accuracy and completeness of the measured

interplanar spacings is conveniently reported

using the format:

F,^, = overall value ( |A2e| , N ) . N II' poss

The "overall" value is the figure of merit of Smith

and Snyder [1979] defined by:

1 , N

N, the number of observed reflections, was chosen

as 30 or as the maximum number of lines of the

pattern if the pattern had fewer than 30 lines.

I A26 ] is the average absolute magnitude of the discrepancy between observed and calculated 20 values

for each reported hk£. When multiple indices are reported for an observed reflection, then each

possible A29 is included in the | A26 | . Np^^g is the number of diffraction lines allowed in the

space group, up to the Nth observed and indexed

line. Co-positional lines such as the cubic 221 and 300 are counted as one possible line.

Intensity measurements . The intensities of the

diffraction lines were measured as peak heights above

background and were expressed in percentage of the

strongest line. It has been found that samples which

give satisfactory intensity patterns usually have an average particle size smaller than 10 |jm, as recom- mended by Alexander et al. [1948]. In order to avoid

the orientation effects which occur when powdered

samples are packed or pressed, a sample holder was made that had in its top face a rectangular cavity

which extended to one end of the holder. To prepare

the sample, a glass slide was clamped over the top

face to form a temporary cavity wall (see Figure 1),

and the powdered sample was allowed to drift into

the end opening while the holder was held in a vertical position.

Figure 1

.

With the sample holder returned to a horizontal

position, the glass slide was carefully removed

so that the sample could be exposed to the x-ray

beam (see Figure 2).

3
Format of tables . The printing of the data

has been computerized. Superimposed reflections

are treated in one of two ways. If a d-spacing

has only two possible indices, an M is added to the d-spacing which is repeated on the next line,

but with the second index. However, if there are more than two possible indices, a plus sign is used in like manner. In both cases, the composite

intensity is printed only once and aligned with

the first reflection. The symbol "IL" in the in- tensity column is used to indicate "less than 1".

Figure 2.

As a general practice, approximately 50 volume percent of finely ground silica gel was added as a diluent. Occasionally, a rotating sample holder

was used.

As a check on reproducibility, each sample

was mounted at least 3 times. The intensity

values were determined for each of the mountings.

The reported I^el value for each observed spacing

is the average of 3 or more observations and is

rounded to the nearest integer. Theta-compensating

(variable divergence) slits were sometimes used

to gather the intensity data. In that case, the

average I(comp) for each spacing was converted to an equivalent fixed slit value, using the approximate equation:

Kfixed) = . sm 9

UNITS

o o In this publication the Angstrom unit (lA =

100 pm) was selected for presentation of the

d-spacings and lattice parameters. This maintained

consistency with (a) the earlier publications of

Standard X-ray Diffraction Powder Patterns [1982]

(b) the publications of the International Union of

Crystallography, and (c) the continuing publication

of cards and search manuals of the PDF (now con- sisting of over 40,000 entries). The PDF search

manuals are based on the d-spacings in A of the 3 strongest lines. Consistent with the choice of

the A unit for lengthy the volume of the unit cell

is expressed in (lA^ = 1 x 10'^° m^) . Densities

are reported in g/cm^ (1 gm/cm^ = lO^^ kg/m^).

ACKNOWLEDGMENTS

We would like to thank Carolyn Wingo

,

Donna Gladhill, and Tracy Olert of the JCPDS

Associateship for their assistance in keyboarding

the data, proofreading of this manuscript, measuring intensities, and preparing compounds. Appreciation is also expressed to the Text Editing

Facility of the National Measurement Laboratory of

NBS for typing the manuscript.

REFERENCES

The estimated standard deviation, a, in the

relative intensity values was calculated from the

values of the five strongest lines, excluding the

line with Ii^el=ioo.

t2 ^

1 n-1

nI

k=l

and

a =

rel 2 (I.'^'^^k) - <1>.)

m

Ii=l

where

m is the number of strong lines

(usually 5) , and

n is the number of independent

observations i, per line.

Where conversion of intensities for effects of

theta-compensating slits was required, each O. was multiplied by the conversion factor

^ _ I(comp)

Kfixed)

Alexander, L., Klug, H. P., and Kuramer, E. (1948).

J. Appl. Phys., 19, No. 8, 742. Chemical Abstracts Service Registry Handbook - Number Section (1974), (The American Chemical

Society, Chemical Abstracts Service, The Ohio

State Univ., Columbus, OH 43210).

Crystal Data (1973). (3rd Ed. Published jointly

by the U.S. Dept. of Commerce, Natl. Bur. of

Stand., Washington, D.C. 20234, and the Joint

Committee on Powder Diffraction Standards,

1601 Park Lane, Swarthmore, PA 19081).

Daniels, R. W. (1978). An Introduction to Numerical

Methods and Optimization Techniques , (Elsevier

North-Holland Inc., New York), 78. Deslattes, R. D. and Henins , A. (1973). Phys.

Rev. Lett. 31, 972. Deslattes, R. D. , Henins, A., Bowman, H. A.,

Schoonover, R. M. , Carroll, C. L., Barnes,

I. L. , Machlan, L. A., Moore, L. J., and

Shields, W. R. (1974). Phys. Rev. Lett. 33,

463.

Donnay, J. D. H. and Kennard, 0. (1964). Acta

Crystallogr. 17, 1337. Evans, H. T. , Jr., Appleman, D. E., and Handwerker,

D. S. (1963). Report #PB216188, U.S. Dept. of

Commerce, National Technical Information Center,

5285 Port Royal Rd., Springfield, VA 22151,

$3.50.

Groth, P. (1908). Chemische Kristallographie H,

(Engelmann, Leipzig, Germany).

4
Hubbard, C. R. (1982). J. Appl. Cryst. 16, 285. Hubbard, C. R. (1983). Submitted for Publication.

International Tables for X-ray Crystallography , I (1965), (The Kynoch Press, Birmingham, Eng.).

International Union of Pure and Applied Chemistry

(1979). Pure Appl. Chem. 51, No. 2, 407. ISCC-NBS Centroid Color Charts, SRM 2106 (1965), or Color Kit, SRM 2107 (1977) which contains both

SRM 2106 and Color , an NBS Special Publication #SP 440. These can be obtained from the

Natl. Bur. of Stand., Office of Standard Ref- erence Materials, Washington, DC 20234.

Current prices will be quoted on request.

Mighell, A. D., Hubbard, C. R., and Stalick, J. K. (1981). NBS Technical Note 1141, U. S. Dept.

of Commerce, Natl. Bur. Stand., Washington,

DC 20234.

Palache, C, Herman, H. , and Frondel, C. (1944). Dana '

s

System of Mineralogy 1, (John Wiley

and Sons, New York, 7th Ed.), 6. Pyrros, N. P. and Hubbard, C. R. (1983). In Advances in X-ray Analysis , (Plenum Publishing Corporation, New York, NY), 26, 63. Savitzky, A. and Golay, M. J. E. (1964). Anal.

Chem. 36, 1627. Smith, G. S. and Snyder, R. L. (1979). J. Appl.

Crystallogr. 12, 60. Snyder, R. L. , Hubbard, C. R., and Panagiotopoulos

,

N. C. (1981). Auto : A Real Time Dif f ractometer

Control System Report , NBSIR 81-2229, U. S. Dept

of Commerce, Natl. Bur. Stand., Washington, DC

20234)

.

Standard Reference Material 640a (1982), Silicon

Powder X-ray Diffraction Standard, obtainable

from the Natl. Bur. of Stand., Office of

Standard Reference Materials, Washington, DC

20234. Current price will be quoted on request

.

Standard Reference Material 675 (1982), Fluorophlogopite Powder X-ray Diffraction Standard.

To obtain, see procedure above for SRM 640a.

Standard X-ray Diffraction Powder Patterns (1982),

see page iv of this Monograph.

Visser, J. W. (1969). J. Appl. Crystallogr. 2, 89. Wolff, de, P. M. (1968). J. Appl. Crystallogr. 1, 108.

5

Barium Cadmium Phosphate, BaCd(P03)4

Synonym

Barium cadmium metaphosphate

Sample

The sample was made by heating Ba (OH) 2 * 8H2O

,

CdCOs, and (NH4)2HP04 at 500 °C overnight.

It was reground, heated at 700 °C for 2 days

followed by heating at 800 °C overnight.

Color

Colorless

Structure

Monoclinic, PZj/n (14). The structure of

BaCd(P03)4 was determined by Averbuch-Pouchot

et al. (1975). This phase is isostructural

with other phases with Mn, Ca , and Ag in place

of Cd.

Crystallographic constants of this sample

a = 14.954(2) A

b = 9.2066(11)

c = 7.2290(11)

p = 90.82(2)°

a/b = 1.6243

c/b = 0.7852

V - 995.15 A^

Density (calc) = 3.775 g/ cm^

Figure of merit

F30 = 53.6(0.0087,64)

Additional patterns

PDF card 29-152 (Averbuch-Pouchot, 1975)

Majling et al. (1979) (calculated pattern)

References

Averbuch-Pouchot, M.-T. (1975). J. Appl

.

Crystallogr. 8, 389.

Averbuch-Pouchot, M.-T., Durif, A., and

Guitel, J. C. (1975). Acta Crystallogr.,

B31 , 2453.

Majling, J., Raninec , S., and Durovic, S. (1979). Calculated Powder Diffraction

Patterns for Anhydrous Phosphates (VEDA,

Bratislava, Czechoslovakia).

CuKa^ A = 1.540598 A; mean T = 25.8 °C Internal standards Si, SRM 640a

Fluorophlogopite, SRM 675

d(A) l"^^^ hk£ 2e(°)

a = ±2

7 . 84 8 1 1 0 1 1 . 280

7 . 48 3 2 0 0 1 1

.

821

5 . 801 38 2 1 0 15

.

262

5. 686 8 0 1 1 15

.

573

5

.

333 3 -1 1 1 16 609

4 604 14 0 2 0 19 262

4 497 4 2 1 1 19 727

4 397 32 1 2 0 20 179

4 135 IL -3 0 1 21 471

3 919 8 2 2 0 22 674

3 754 69 1 2 1 23 681

3 737 68 4 0 0 23 789

3 615 5 0 0 2 24 608

3 462 100 4 1 0 25 709

3 456 98 -2 2 1 25 761

3 432 20 2 2 1 25 943

3 291 16 -1 1 2 27 070

3 270M 15 1 1 2 27 249

3 270M -2 0 2 27 249

3 109 18 4 J 1 28 688

3 074 58 -3 2 1 29 022

3 053M 70 2 1 2 29 233

3 053M 3 2 1 29 233

3 006 11 1 3 0 29 694

2 845 22 5 1 0 31 414

2 825 20 0 3 1 31 647

2 .805 22 -3 1 2 31 874

2 . 778M 54 -1 3 1 32 192

2 . 778M -5 0 1 32 192

2 .648M 9 -2 3 1 33 827

2 .648M 2 2 2 33 .827

2 .616 10 -4 0 2 34 .253

2 .580 13 4 0 2 34 .742

2 .517 11 -4 1 2 35 .637

2 .509 6 5 2 0 35 .763

2 491 5 6 0 0 36 020

2 464 9 -3 3 1 36 427

2 458 10 3 2 2 36 528

2 452 6 3 3 1 36 621

2 405 10 6 1 0 37 359

2 372M 6 1 0 3 37 893

2 372M 4 3 0 37 893

2 331 12 0 1 3 38 601

2 308M 4 -1 1 3 38 995

2 308M 1 3 2 38 995

7
Barium Cadmium Phosphate, BaCd(P03)4 - (conti nued)

d(A) -J- rel

O = +2

hk£ 2e(°)

2.2743+ 16 -4 2 2 39.596

2.2743+ 1 4 0 39.596

2.2597 10 -4 3 1 39.862

2 . 2481 6 4 3 1 40.077

2. 1679 12 1 4 1 41.626

2. 1168 4 -1 2 3 42.680

2. 1046 14 -6 2 1 42.939

2.0906M 5 6 2 1 43.240

2 . 0906M 3 4 0 43. 240

2.0723 12 -5 2 2 43.643

2.0589M 23 -2 2 3 43.941

2.0589M -5 3 1 43.941

2.0484M 28 5 2 2 44. 178

2.0484M 5 3 1 44. 178

2.0110 19 , -3 4 1 45.045

2.0046 15 3 4 1 45. 196

1.9914M 12 7 1 1 45.512

1 .9914M -4 3 2 45.512

1.9712 6 -3 2 3 46 . 005

1.9602 3 4 4 0 46.279

1.9268 4 -1 4 2 47.130

1 .8947M 3 -4 4 1 47.976

1 .8947M 0 3 3 47.976

1 . 8833M 8 -1 3 3 48.285

1 .8833M -2 4 2 48.285

1 .8775M 18 -7 2 1 48.446

1 .8775M 1 3 3 48.446

1 .8652 10 7 2 1 48.785

1 .8325M 8_ 2 3 3 49 . 715

1 .8325M 8 1 0 49.715

1.8276 6 1 5 0 49.856

1 .8130M 3 -7 1 2 50.285

1 .8130M -3 4 2 50.285

1 .8074 4 0 0 4 50.452

1.7841 5 0 5 1 51.158

1 .7724M 10 -1 5 1 51.522

1.7724M -5 4 1 51.522

8
Barium Titanium Oxide, BaTiOg

Synonym

Barium titanate

CuKa^ K = 1 .540598 A; mean T = 26±2 °C CAS registry no. Internal standards S i , SRM 640a

12047-27-7

Fluorophlogopite 675

,

SRM

Samp LG o rel The sample was prepared by heating BaTiOs d(A) 1 nKX, 2e(°)

at 1550 °C for one hour and quenching it in a ^ ±\ water

.

Color 6 989 2 0 0 2 12 655

4 674 2 1 0 1 18 970 Light gray

4 043 9 1 0 2 21 968

Structure

Hexagonal, PBs/mmc (194). The structure was

3 492 IL 0 0 4 25 488

3 394 26 1 0 3 26 239

determined by Burbank and Evans (1948)

.

2 863 100 1 1 0 31 213

L rys ta 1 1 ographi c constants oi this sample

o

2 855 91 1 0 4 31 302

2 649 IL 1 1 2 33 811

a = 5.72481(11) A 2 4408 6 2 0 1 36 793

2 4337 4 1 0 5 36 905

c/a = 2.4398 2 3365 16 2 0 2 38 498

2 3290 15 0 0 6 38 628

Z = 6 2 2136 3 1 1 4 40 728 V = 396.43 a3 2 1882 22 2 0 3 41 222

Density (calc) = 5.862 g/cm^ 2 1073 IL 1 0 6 42 882

Figure of merit 2 0214 33 2 0 4 44 800

F30 = 105.1(0.0071,40) 1 8539 13 2 0 5 49 102

1 8514 10 1 0 7 49 173 Polymorphism 1 8102 5 2 1 2 50 370

Blattner et al. (1947) reported the existence 1 8061 8 1 1 6 50 492

of two polymorphs, cubic and tetragonal. The

rhombohedral form reported by Megaw (1946) is 1 7466 2 0 0 8 52 338

the same as the phase being reported here. 1 7389 8 2 1 3 52 587

1 6513 32 2 1 4 55 612

Additional patterns 1 6470 29 1 0 8 55 768

ijjr caro o j/z ^_i\ase arici i\oy , lyDD j

1 5544 9 2 0 7 59 414

Dickson et al. (1961)

Arend and Kihlborg (1969) 1 4942 1 3 0 4 62 066

1 4908 6 1 1 QO 62 224

References 1 4813 3 1 0 9 62 668

Arend, H. and Kihlborg, L. (1969). J. Am. 1 4595 IL 2 1 6 63 709

CsT3.T[\ . Soc. 52j No. 2j 63« 1 4312 15 2 2 0 65 123

Blattner, H. , Matthias, B., and Merz, W. 1 4277 12 2 0 8 65 305 (1947). Helv. Phys . Acta 20, 225. 1 3686 3 3 1 1 68 504

1 3658 8 2 1 7 68 664

Burbank, R. D. and Evans, H. T. , Jr. (1948). 1 3494 4 3 1 2 69 617 Acta Lrystaiiogr. i, Jju. 1 3475 4 3 0 6 69 729

Dickson, J. G. , Katz, L. , and Ward, R. (1961). 1 3443 4 1 0 10 69. 922

J. Am. Chem. Soc. 83, 3026. 1 3243 IL 2 2 4 71 136

1 3188 5 3 1 3 71 477 Megaw, H. D. (1946). Proc. Phys. Soc, London, 1 3154 6 2 0 9 71. 688

58, 133. 1 2793 11 3 1 4 74. 046

Rase, D. E. and Roy, R. (1955). J. Am. Ceram. 1 2772 5 2 1 8 74 185 Soc. 38, 108. 1 2552 IL 1 1 10 75 712

1 2340 1 3 1 5 77. 255

1 2301 2 1 0 11 77. 540

1 2190 6 2 2 6 78. 380

9
Barium Titanium Oxide, BaTiOs - (conti nued)

o d(A)

rel

I a = ±1

2e(°)

1 . 2002 2 3 0 8 79 .850

1 . 1977 4 4 0 3 80 . 052

1 . 1953 4 2 1 9 80 . 250

1 . 1681 4 4 0 4 82.519

1. 1638 2 0 0 12 82.884

1 . 1323 3 3 1 7 85 . 737

1 . 1302 2 2 0 1

1

85 .935

1 . 1225 IL 3 2 2 86.666

1 . 1 198 3 2 1 10 86 . 930

1. 1067 1 2 2 8 88.214

1 . 1049 3 3 2 3 88 . 399

1 . 0816 12 3 2 4 90 . 829

1 .0781 4 1 1 12 91 . 200

1.0691 IL 4 1 2 92 . 193 1.0667 IL 3 0 10 92.467

1 .0528 3 4 0 7 94 . 049

1.0512 3 2 1 1

1

94.242

1 .0501 3 1 0 13 94. 372

1 .0334 IL 4 1 4 96 . 391

1 .0292 2 3 1 9 96.909

1 .0106 1 4 0 8 99 . 321 .9996 IL 2 2 10 100 .813 .9881 2 3 2 7 102 . 441 .9857 3 2 0 13 102 . 787 .9811 3 4 1 6 103.463

.9799 IL 3 1 10 103.652

.9698 1 5 0 3 105 . 174 .9684 1 4 0 9 105 . 386

.9539 4 5 0 4 107 . 713

.9530 IL 3 2 8 107.859

.9516 4 3 0 12 108.094

.9421 IL 1 1 14 109 . 707 .9348 IL 4 2 1 110.973

.9329 3 3 1 11 111 . 321

.9321 3 2 1 13 111 .466

.9286 IL 4 2 2 112 . 100 .9271 IL 4 0 10 112.381

Q 1 Qfi •3J 1 8

11-3 7 7 A .9185 3 4 2 3 113.998

.9174 3 3 2 9 114.212

.9049 5 4 2 4 116.689

.9031 5 2 2 12 117.076

10
Barium Titanium Oxide, BaTigOs

Synonyms

Barium titanate

DaLlLLMI lllfcrLclLl±L±LaIl<iUt: A = 1 .540598

oA; mt-an T = 26±2 = o C

1 rite rna 1 standa rds w, a = 4.0861 A Sample

The sample was prepared by fusing an equimolar

F] uorophlogopiLe

,

SRM 675

mixture of BaTiOs and Ti02 at 1375 °C for one o ^rel hour, then quenching in water. <1(A) hk£ 20(°)

Color a = ±3

Light gray

8 25 9 2 0 0 10 718 Structure

Mono clinic, C2/m (12). The structure of

BaTi205 was dete rm ined by Harrison (1956).

6

4

4

4

976

585 460

123

7 19

4 28

-2

0-2

-4

0

0

0

0

12

2

1

1219.

19. 21

.

680

344 893

537

Crystallographic constants of this sample

o 3 827 7 1 1 0 23. 225

aQ —— 1A QI/iflM?^ A 10 . y i^\J L dL J t\ 3 668 6 2 0 2 24 246

D — J

.

y JHD \j) 3 473 100 4 0 1 25. 632

t- — Q /,^ 0 0 C 1^ C — y . H 1 Z.Z \ / ) 3 152 86 -3 1 1 28 287

a - 10"^ ^ 1 L( f^\^ P

— IKJ J , L I '-f } 3 105 35 -2 0 3 28 727

d/U — H , Z.y O y 3 056 23 0 0 3 29 200

3 016 76 -

1

1 2 29 596

2 904 59 QJ 1 1 30 764

7 -

2 864 62 1 1 2 31 207

V — UiW. «JH r\ 2 802 2o -3 1 2 31 909

ueiisiLy v.cdic^ — j.iiz. g/Lin

2 772 d9 -4/ 0 3 32 266

2 746 o o ZO 0 0 0 32. 581

- QO ATO 0077 LO.'] 2 674 1

7

2 0 3 33 480

2 634 4

/ -D 0 2 34 008

2 552 28 -5 1 1 35 141

r Ux ^ a HJ O jUO l^Adbtr ciIlU lAtjy , lyjj ^ 2 525 8 5 1 0 35 520

AtrltZrL ClU^Co 2 479 9

/-o 0 1 36. 201 namsou, r. w. ^i^jD_^. rtCLa c-rysL. y j Hy d . 2 451 5 -1 1 3 36. 627

2 3957 5 -5 1 2 37. 511 Rase, D. E. and Roy, R. (1955). J. Am. Ceram. 2 3717 33 -3 1 3 37. 906 q„„ o o »j„ o 1 AO oOL. JO, viO . J, L\J . 2 3333 27 5 1 1 38. 554

2 3292 26 1 1 3 38. 624

2 2910 16 0 0 4 39

.

294

2 2237 15 4 0 3 40 535

2 1504 6 6 0 2 41 981

2 1377 9 -5 1 3 42 242

2 1138 3 -8 0 1 42 743

2 0891 57 2 0 4 43. 274

2 0758 17 3 1 3 43

.

566

2 0610 70 -8 0 2 43 893

2 0200 35 7 1 0 44 833

2 0137 32 -1 1 4 44. 982

1 9960 25 -6 0 4 45. 401

1 9674 53 0 2 0 46 100

1 9221M 7 1 1 4 47 252

1 .9221M -8 0 3 47 252

1 9175 6 8 0 1 47 372

1 8823 5 -2 0 5 48 313

1 8666 5 -5 1 4 48 747

1 .8600 5 -7 1 3 48 929

11
Barium Titanium Oxide, BaTi205 - (continued)

o d(A) J re 1

a = ±3

2e(°)

1 . 8452 3L /:D 0 3 49 . 349

1 O O O AM 7

/H U/H

/.A 7 A 1 49 . /Ol

0 0 5 49 . 701

1 . 8081 10 0 2 2 50 . 430

1.7992 30 5 1 3 50. 700

1 . 7751M o0 -4 2 1 5 1 . 437

1 . 7 75 IM /4 2 0 5 1 . 437

1

.

/DD9

/-D 3 1

/H 52 . 040

1 . 7365 7 8 0 2 52 . 668

1 .7281 12 7 1 2 52.943

1 "7 1/./. /u -D 0 5 53 . 400

1.7116 3L 4 2 1 53 . 494

2o -3 1 5 54 . 248

i . boy on - 10 0 1 c / o / o 54 . Z4o

1 .6867 28 -7 1 4 54.348

5 -9 1 2 54.779

1 ^^^^ 1 . DO i J) 0 A -2 Z 3 55 . 248

Z 1 9 1 0 55 . 302

ir J -5 1 5 5o

.

dOo

1.6108 7 -10 0 3 57.137

ZU /. z 3 57 . 396

1 Q Q A 1 Q /:D Z AU 57.576

OT D U/H 57.918

1 A A 7 oJ

cJ 1 H CO A A O OO . y u3

1 .5610 10 10 0 1 59.138

T Q tr o /NM r3

oo 0 3 59.514

1 R O HM i . jjZUn / -H 0 6 59.514

1 c A o 1 1 . j^y X r /H 0 5 59 . 638

1 . DZo

1

/ 0 0 D dO . 544

1.5117 3L -7 1 5 61 .270

i . DU /

U

7 3 1 5^ T /OA ol . 4o0

1 . 'ty OH 7 -9 1 61 .871

1 /. n o o

i . ny Zo 7 0 2 4 62 . 131

1 . HOOD 12

{ -D 0 6 62 . 463

1.4733 5 4 2 3 63.045

1 . HOD

/

0o 9 1 2 63 . 362

1 /.ceo o3 -3 1 6 63 . 9 18

1 /, /, Q O 1 . HHy Z

1 A 10 0 2 64 . 219

1 /. o o o ZJ 2 2 4 65 . 068

1 .4293 25 -11 1 1 65.224

1 . 4230 35 -8 2 2 65 . 546

1 . 4049 5 -12 0 1 66 . 500

1 . 4013 7 -6 2 4 66 . 693

1.3938 19 1 1 6 67.098

1.3890 25

f -11 1 3 67.362

1.3861 20 6 0 5 67.523

1.3835 20 8 0 4 67.665

1.3746M 12 -8 2 3 68. 164 1.3746M 5 1 5 68. 164

12
Barium Titanium Oxi de, BaTi^O

Synonym

Barium tetratitanate

CAS registry no. 12009-31-3

Sample

The sample was prepared using BaTiOs and

Ti02 (rutile). The reactants in a 1:3 molar ratio were blended by grinding

under acetone. The following heating

schedule, with periodic grinding, yielded

a nearly single phase product, containing

less than 1% of an extra phase: 800 °C for 20 hours; 1175 °C for 25 hours; 1250 °C for 20 hours; 1325 °C for 4 days.

Color

Colorless

Structure

Orthorhombic , Pnmm (59). The structure was determined by Lukaszewicz (1957). Temperature

factors as well as atomic coordinates were given by Templeton and Dauben (1960).

Crystallographic constants of this sample

a = 6.2940(5) A

b = 14.5324(11)

c = 3.7972(3)

a/b = 0.4331

c/b = 0.2613

V = 347.32 a3

Density (calc) = 4.522 g/ cm^

Figure of merit

F30 = 124.6(0.0065,37)

Additional pattern

PDF card 8-367 (Rase and Roy, 1955)

References

Lukaszewicz, K. (1957). Rocz. Chem. 31,

1111.

Rase, D. E. and Roy, R. (1955). J. Am. Ceram. Soc. 38, 102.

Templeton, D. H. and Dauben, C. H. (1960).

J. Chem. Phys. 32, 1515.

CuKa A - 1.540598 A; temp. 26±1 °C

1 o Internal standards Ag, a = 4.08651 A Fluorophlogopite , SRM 675

d(A) I hk2 28(°) a = ±3

7 267 IL 0 2 0 12 170

6 295 IL 1 0 0 14 05 7 5 777 15 1 1 0 15 324

4 758 16 1 2 0 18 634

3 840 36 1 3 0 23 141

3 675 5 0 1 1 24 198

3 631 5 0 4 0 24 494

3 250 21 1 0 1 27 417

3 173 18 1 1 1 28 098

3 147M 67 1 4 0 28 341

3 147M 2 0 0 28 341

3 077 2 2 1 0 28 999

2 988 93 0 3 1 29 874

2 968 100 1 2 1 30 089

2 888 IL 2 2 0 30 936

2 700 1 1 3 1 33 155

2 639M 68 2 3 0 33 942

2 639M 1 5 0 33 942

2 4225+ 17 2 0 1 37 081

2 4225+ 1 4 1 37 081

2 3899 10 2 1 1 37 606

2 3779 8 2 4 0 37 803

2 3080 11 0 5 1 38 994

2 2975 8 2 2 1 39 179

2 2604 8 1 6 0 39 848

2 1666M 22 1 5 1 41 653

2 1666M 2 3 1 41 653

2 1337 IL 2 5 0 42 325

2 0989 IL 3 0 0 43 061

2 0159M 26 2 4 1 44 929

2 0159M 3 2 0 44 929

1 9716 1 1 7 0 45 996

1 9422 5 1 6 1 46 732

1 9250 15 3 3 0 47 177

1 9200 10 2 6 0 47 305

1 8985 30 0 0 2 47 876

1 8611 5 2 5 1 48 900

1 8368M 7 0 2 2 49 590

1 8368M 3 0 1 49 590

1 8220M 13 3 1 1 50 021

1 8220M 0 7 1 50 021

1 8167+ 15 3 4 0 50 175

1 8167+ 0 8 0 50 175

1 .8042 3 1 1 2 50 548

1 .7805 10 3 2 1 51 268

13
Barium Titanium Oxide, BaTi409 - (continued)

° rel

d(A) I hk£ 2e(°) a = ±3

1 7634 2 1 2 2 51 804

1 7328 5 2 7 0 52 787

1 7128 3 2 6 1 53 452

1 7015M 16 1 3 2 53 835

1 7015M 3 5 0 53 835

1 6821 1 0 4 2 54 508

1 6390 1 3 4 1 56 065

1 6259M 13 2 0 2 56 557

1 6259M 1 4 2 56 557

1 5858+ 23 1 8 1 58 122

1 5858+ 3 6 0 58 122

1 5766 12 2 7 1 58 496

1 5733M 14 2 8 0 58 630

1 5733M 4 0 0 58 630

1 5640M 5 1 9 0 59 014

1 5640M 4 1 0 59 014

1 5525 9 3 5 1 59 495

1 5414M 21 2 3 2 59 966

1 5414M 1 5 2 59 966

1 5377 12 4 2 0 60 124

1 4965 6 4 3 0 61 958

1 4838 2 2 4 2 62 549

1 4632 2 3 6 1 63 532

1 4537+ 8 1 6 2 63 998

1 4537+ 4 0 1 63 998

1 4460M 3 1 9 1 64 380

1 4460M 4 1 1 64 380

1 4257 IL 4 2 1 65 410

1 3923 3 4 3 1 67 183

1 3819 6 3 2 2 67 757

1 3732 IL 3 8 0 68 246

1 3519 8 3 3 2 69 473

1 3497M 7 4 4 1 69 603

1 3497M 2 6 2 69 603

1 3267 1 1 10 1 70 985

1 3195M IL 4 6 0 71 437

1 3195M 2 10 0 71 437

1 3126M 4 3 4 2 71 870

1 3126M 0 8 2 71 870

1 3001 2 4 5 1 72 668

1 2932 4 1 11 0 73 120

1 2915 5 3 8 1 73 231

1 2798M 2 2 7 2 74 010

1 2798M 3 9 0 74 010

1 2670 5 3 5 2 74 886

d(A) J rel

O = ±3

hk£ 2e(°)

1 .2541M IL 5 1 0 75.789

1.2541M 4 7 0 75.789

1 .2478 6 0 11 1 76.241

oJ

/. o 1

1 .2464M 2 10 1 76. 346

1 .2406M 2 1 0 3 76.768

1.2406M 5 2 0 76. 768

1 .2247 5 0 3 3 77.950

1 0 9 1 0 CJ 1 OZ

1 .2185M IL 5 3 0 78.420

1 .2185M 2 1

1

0 78.420

1 .2115M 6 4 0 2 78.959

1 .2115M 2 8 2 78.959

1.2072M 4 4 1 2 79.302

1.2072M 1 9 2 79.302

1 . 1948+ IL 5 0 1 80.291

1 . 1948+ 3 10 0 80.291

1 . 1909M 3 5 1 1 80.608

1 . 1909M 4 7 1 80.608

14
Barium Titanium Phosphate, BaTi4(P04)6

Sample

The sample was prepared by heating stoichiometric proportions of EaCO^, Ti02 (anatase),

and (N}l4)2HP04 at 500 °C. The phase was then

reground and heated at 1200 °C for 3 days.

Color

Bluish white

Structure

Rhombohedral , R3c (167). Similar to BaZr4(P04)6, NaZr2(P04)3, and other phosphates of this type. The structure of

NaZr2(P04)3 was determined by Hagman and

Kierkegaard (1968).

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.3483(2) A

c = 23.0193(9)

c/a = 2.7574

V = 1389.37

Density (calc) = 3.222 g/cm^

Figure of merit

F30 = 188.2(0.0048,33)

Additional pattern

PDF card 12-685 (Harrison, 1960)

References

Hagman, L.-O. and Kierkegaard, P. (1968). Acta Cham. Scand. 22, 1822.

Harrison, D. E. (1960). J. Electrochem.

Soc. 107, 217.

CuKa^ k = 1.540598 A; mean T - 26.0 °C Internal standard Si, SRM 640a

d(A) 1 hk£ 2e(°)

a = ±3

0 . 1 9 A J 0 1 2 14

.

453

A ^n9 A 0 4 1 9 . 702

4. 176 59 1 1 0 21 . 261

3. 667 100 1 1 3 24. 253

J • 1 9 2 0 2 25

.

8 1

2

J . flA UD 11

1 (\ 1 D 0 2 4 29 1 46

z oZhj ] 3

1

652

2 7132 12 2 1 1 32 987

2 6731 12 0 1 8 33 496

9 D J OH 1 A ] 2 2 33 687

HO 0 z 2 2 4 36 370

9 4098 22 3 0 0 37 284

2 3502 3 1 2 5 38 266

2 2511 5 2 0 8 40 020

2 5 1 0 10 41 121

9 8 9 41 367

9 T m A 2 2 1 7 43 007

9 u 0 / z 2 2 2 0 43 314

2 0409 13 3 0 6 44 349

2 0137 3 2 2 3 44 980

1 .9976 2 1 3 1 45 363

1 9815 12 1 2 8 45 753

1 .9411 2 0 2 10 46 .762

1 .9176 4 0 0 12 47 .370

1 .8938 IL 1 3 4 48 .002

1 .8331 30 2 2 6 49 .b97

1 .7854 1 0 4 2 51 .118

1 .7602 6 2 1 10 51 .906

1 .7430 3 1 1 12 52 .455

1 . 7240 3 4 0 4 53 .078

1 7119 6 1 3 7 53 484

1 6613 IL 1 2 11 55 247

1 6451 10 3 1 8 55 841

1 6412 4 2 3 2 55 985

1 6169 1 2 2 9 56 900

1 6032 2 0 1 14 57 434

1 5935 1 3 2 4 57 815

1 5776 13 4 1 0 58 454

1 5605 1 2 3 5 59 158

1 5452 3 4 1 3 59 802

1 5306 6 0 4 8 60 435

1 .5121 5 1 3 10 61 253

1 .5008 11 3 0 12 61 762

1 .4969 11 2 0 14 61 941

1 .4808 2 3 2 7 62 689

15
Barium Titanium Phosphate, BaTi4(P04)g - (conti nuei

d(A) a = ±3

2e(°)

1 .4590 11 4 1 6 63 734

1 .4481 IL 3 1 11 64 271

1 . 4402 2 1 1 15 64 666

1 .4368 2 2 3 8 64 840

1.4216 2 4 0 10 65 621

1 .4126 IL 2 2 12 66 091

1 .4091 6 1 2 14 66 275

1 . 4023 IL 0 5 4 66 641

1.3915 5 3 3 0 67 223

1.3693 IL 3 3 3 68 466

1 . 3429 1 4 1 9 70 005

1 . 3269 1 1 3 13 70 975

1 . 3100 2 4 2 5 72 034

1 . 3080 2 3 3 6 72 162

1 . 2963 2 5 1 1 72 915

1 .2902 IL 1 5 2 73 314

1 .2789 IL 0 0 18 74 071 1.2714 4 3 1 14 74 582

1 .2666 3 5 1 4 74 912

1 .2497 2 1 5 5 76 104

1.2344 IL 4 2 8 77 218

1 .2227 1 1 1 18 78 097

1 . 2185 2 4 1 12 78 420

1 .2133 2 1 2 17 78 820

1 . 2105 3 3 2 13 79 036

1 .2077 4 5 1 7 79 256

1 .2049 5 6 0 0 79 477

1 . 1824 IL 3 4 2 81 306

1 . 1677 4 2 3 14 82 551

1 . 1578 2 5 z

r\U AH 1i J

1 . 1497 IL 6 0 6 84 137

1 . 1447 IL 5 2 3 84 584

1 . 1367 4 0 1 20 85 322

1.1311 1 5 1 10 85 850

1 . 1264 1 3 3 12 86 292

1. 1177 IL 4 3 7 87 128

1 . 1034 2 1 5 11 88 552

1.0986 4 3 4 8 89 042

1.0967 2 2 0 20 89 234

r

16
Barium Zirconium Phosphate, Balr^{PO^)(-

Synonym

Barium zirconium orthophosphate

CAS registry no. 6792-89-8

Sample

The sample was made by heating a 1:4:6

molar mixture of BaCOg, ZrOg, and (NH4)2HP04

at 500 °C. This was followed by grinding

and heating to 1600 °C for 1 day.

Color

Colorless

Structure

Rhombohedral , R""" (166). The structure was similar to that of NaZr2(P04)3 (Chernorukov

et al. , 1978) .

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.6468(5) A

c ~ 23.984(2)

c/a = 2.7737

Z - 3 V - 1552.97 A^

Density (calc) = 3.439 g/cm^

Figure of merit

F30 = 91.7(0.0091,36)

Reference

Chernorukov, N. G. , Korshunov, I. A., and

Prokof'eva, T. V. (1978). Sov. Phys

.

Crystallogr. (Engl. Transl.) 23, 475.

0 CuKa k - 1.540598 A; mean T = 25. 0 °C Internal standards Si , SRM 640a

Fluorophlogopite

,

SRM 675

d(A)

^rel hk£ 2e(°) a = ±4

8.01 IL 0 0 3 11.039

7.16 1 1 0 1 12.353

6.359 1 0 1 2 13.915

4.681 7 1 0 4 18.942

4.324 36 1 1 0 20.522

4.040 2 0 1 5 21.986

3.999 1 0 0 6 22.213

3.804 40 1 1 3 23.368

3.695 3 0 2 1 24.063

3.576 2 2 0 2 24.876

0 d(A) jrel

0 = ±4

2e(°)

20 Q /. A 28.071

3.114 2 0 7 28 . 647

2 . 936 100 J 1 6 30 . 422

2.811 8 2 1 1 31 .810 2.784 7 0 1 8 32. 126

2.755 2 J z z 32 . 473

9 SSQ 2 2 1 4 35 032

-5D 0 0 "^S . QS9 7 jz

2.437 1 1 2 5 36.850

2.384 1 3 0 3 37.709

2 . 340 2

a0 38 435

2 2684 4 ] 1 9 39 . 703

2 1829 4 2 1 7 41 . 328

2. 1613 6 2 2 0 41.760

2. 1173 14 3 0 6 42.669

2 . 0865 2 2 2 J 43 . 330

2 0683 4 3 1 4^^ 7^1

2 0581 \ \ \ 2 8 43 960

2.0193 4 0 2 10 44.849

1.9977 2 0 0 12 45.360

1 . 9625 2 ]^ 3 4 46 . 221 1.9014 28 2 2 6 47 . 798

1 . 8501 IL 0 4 2 49 . 209 1.8295 12 2 1 10 49.801

1 .8140 2 1 1 12 50.255

1 . 7760 2 3 7 5 1 . 409 1.7072 5 3 1 8 53 . 642

1 6788 2 2 2 9 54 . 623

1.6702 4 0 1 14 54.929

1.6513 4 3 2 4 55.613

1 . VJ ^ J 17 14 4 0 56 . 257

1 6167 IL 2 3 5 56 . 909

1 6008 IL 4 1 3 57 . 526

1.5877 2 0 4 8 58.048

1.5700 6 1 3 10 58.766

i . J u u z. q 3 59.172

i . J J / J> q 2 0 14 59 292

1 . J J J u 2 3 2 7 60 . 214

1.5126 15 4 1 6 61.230

1.4995 1 1 1 15 61 .823

1.4905 IL 2 3 8 62.235

1.4863 1 5 0 2 62.432

1.4756 2 4 0 10 62.934

1.4657 10 1 2 14 63.413

1.4531 2 0 5 4 64.026

1 .4411 5 3 3 0 64.625

17
Bismuth Germanium Oxide, Bi4(Ge04)3

Synonyms

Bismuth germanate, BGO

Bismuth orthogermanate

Germanium bismuthate

CAS registry no. 12233-56-6

Sample

The sample was donated by Harshaw Chemical Co.

Color

Colorless

Structure

Cubic, I43d (220), i sostructural with

Bi4(Si04)3. The structure of 814(8104)3

was determined by Durif (1957).

Crystallographic constants of this sample

a = 10.5187(2) A

V = 1163.8 A^

Density (calc) = 7.109 g/cm^

Figure of merit

F30 = 106.9(0.0091,31)

Additional patterns

PDF card 11-320 (Durif, 1958) PDF card 17-809 (Gattow and Fricke, 1963)

References

Durif, A. (1958). Anal. Chem. 30, 1161.

Durif, A. (1957). C. R. Hebd. Seances

Acad. Sci. 244, 2815, and ibid. 245 , 1095.

Gattow, G. and Fricke, H. (1963). Z. Anorg. Allg. Chem. 324, 287.

0 CuKa^ X = 1.540598 A; mean T = 24 9 °C Internal standard Si, SRM 640a

d(A) J rel hk£ 2e(°) a = ±3

4.293 62 2 1 1 20.673

3.719 1 2 2 0 23.911

3.326 94 3 1 0 26.786

2.811 100 3 2 1 31.803

2.631 14 4 0 0 34.052

2.352 2 4 2 0 38.242

2.2423 2 3 3 2 40. 185

2. 1470 44 4 2 2 42.051

2.0622 34 5 1 0 43.867

1 .9200 6 5 2 1 47.306

0 d(A)

jrei

0 = ±3

hkJ^ 2e(°)

1 . 0 J 17 H 2 4 4 0 48 . 946

1 8038 18 5 3 0 50 . 560

1 . 1 \j 38 53 . 685

1.6626 14 6 2 0 55.203

1 .6226 22 5 4 1 56.685

1 ssns 5 3 1 59.577

1 . J i 0 J 5 4 4 4 60 . 975

1 . 4874 2

1

7 0 62 . 382

1 .4585 2 6 4 0 63.759

1 .4313 8 7 2 1 65. 120

1 . *.f W J J 7 4 2 66 . 478

1J * o<j\J "^RflQy \ 7 3 0 67.813

J 5 70 . 422

1 .2947 8 7 4 1 73.022

1.2758 IL 8 2 0 74.280

1 . 2571 3 5 3 75 .579

1 . 2397 14 6 6 0 76 . 831

1 . 2227 10 7 5 0 78 . 100

1 . 1908 6 7 5 2 80.610

1 .1760 1 8 4 0 81 .842

1 . 1617 2 9 1 0 83.071

1 . 1477 IL 8 4 2 84 . 319

1 . 1343 9 7 6 1 85 . 551

1 . 1213 2 6 6 4 86.779

1 . 1088 9 9 3 0 88.007

1 0850 3 7 6 3 90 . 461

1.0736 4 8 4 4 9 1 . 698

1 0626 10 9 4 92 . 923

1 .0415 6 10 1 1 95.393

1.0314 1 10 2 0 96.632

1.0216 2 9 5 0 97 .873

1 0029 qy 10 3 \ 100 . 355

2 8 7 \ 102 . 869

.9766 1 10 4 0 104. 136 .9683 1 9 6 1 105.402

4 10 4 2 106 681 .9523 6 11 1 0 107.966

. 9371 1 10 5 1 110. 568

.9298 IL 8 8 0 111 .882 .9226 2 9 7 0 113.216

.9087 11 9 7 2 115.925

.9020 5 10 6 0 117.298

.8954 1 11 4 1 118.687

18
Bismuth Germanium Oxide, Bi 12^6620

CAS registry no. 12233-73-7

Sample

Bi203 and Ge02 were melted together in a 6 to 1 molar ratio and a single crystal was pulled from the melt by the Czochralski

technique (Levin and Roth, 1964).

Color

Single crystal: dark yellow

Ground: yellowish white

Structure

Cubic, 123 (197). The structure was determined by Abrahams et al. (1967).

Crystallographic constants of this sample

a = 10.14558(14) A

V = 144.31 A^

Density (calc) = 9.223 g/cm^

Figure of merit

F30 = 117.3(0.0085,30)

Additional patterns

PDF card 17-812 (Gattow and Fricke, 1963) PDF card 23-71 (Bernstein, 1967)

References

Abrahams, S. C, Jamieson, P. B., and

Bernstein, J. L. (1967). J. Chem. Phys

.

47, 4034.

Bernstein, J. L. (1967). J. Cryst. Growth

1, 45.

Gattow, G. and Fricke, H. (1963). Z. Anorg.

Allg. Chem. 324, 287.

Levin, E. M. and Roth, R. S. (1964). J. Res. Natl. Bur. Stand., Sect. A, 68, 197.

0 CuKOj \ = 1 .540598 A; mean T = 25 8 °C

XII LtTi lid J. W, a _

3 . 16524

0A

0 d(A)

TP 1 hk£ 20(°) a = ±2

7.18 \ 1 1 0 12 . 323

5.072 2 2 0 0 1 7 . 470

4 . 146 4 2 1 21 .415 3.587 22 2 2 0 24.800

3.208 100 3 1 0 27.785

26 2 2 2 30 . 484

2.712 76 3 2 1 33 . 002

4 4 0 0 35 . 344

2.391 12 3 3 0 37.585

2.2681 12 4 2 0 39.707

2 . 1628 19 3 3 2 41 .729 2.0712 15 4 2 2 43 . 667

1 . 9899 23 5 1 0 45 . 549

1 .8519 12 5 2 1 49. 158

1 . 7927 1 4 4 0 50.894

1 . 7396 46 5 3 0 52 . 567

1 . 69 10 25 6 0 0 54 . 198

1 . 6460 36 5 3 2 55 . 808

1 .6036 1 6 2 0 57.418

1 .5656 6 5 4 1 58.945

1 . 5294 6 2 2 60 . 485

1 . 4960 28 6 3 1 61 . 981

1 . 4640 4 4 4 4 63 . 493

1 .4347 12 5 5 0 64.945

1 .4070 3 6 4 0 66.387

1 . 3807 8 7 2 I 67 . 824

1 . 3559 5 6 4 2 69 . 234

1 . 3320 2 7 3 0 70 . 663

1.2887 7 6 5 1 73.414

1 .2683 1 8 0 0 74.799

1 . 2487 5 7 4 76 . 177

J 6 4 4 77 . 524

I / 6 5 78.861

1.1956 16 6 6 0 80.219

1 . 1795 17 7 5 0 81.549

11 6 6 2 82 869

1 1 ZiRQ 5 7 5 2 84 204

11 . 1 '^A'? 1

J

0 8 4 0 85 543

1 1205 4 9 1 0 86 860

1. 1071 6 8 4 2 88. 182

1.0942 9 7 6 1 89.500

1.0814 1 6 6 4 90.845

1.0695 8 9 3 0 92. 148

1 .0464 5 9 3 2 94.804

1.0355 IL 8 4 4 96. 133

19
Bismuth Germanium Oxide, Bij^g^eOgo ~ (continued)

o d(A)

^rel

a = ±2

2e(°)

1 .0248 16 7 7 0 Q 7 468

1 .0145 3 8 6 0 y o

1 0047 1 1i uu TOO .9948 3 10 2 0 i U X Ho Z .9854 9 9 5 0 102 835

.9763 3 10 2 2 1 HA 1I R7o / .9673 9 10 3 1 1 U J 7 1 .9501 4 7 108

.9419 3 10 4 0 1 no .9340 6 10 3 3 111 130

.9261 2 10 4 2 119 1 i Z .9185 7 1

1 0 11'^ QQQ

9038 7 10 5 ]^ 116 Qy Z9 J^ .8897 8 9 7 0 119 940

.8831 10 10 4 4 121 448

.8764 12 9 7 2 123 021

.8699 3 10 6 0 124 630

.8637 5 11 4 1 126 225

.8514 6 9 6 5 129 591

.8454 4 12 0 0 131 320

.8397 17 1

5 0 133 089

.8284 6 10 7 1 136 826

.8230 2 10 6 4 138 783

.8176 4 12 3 1 140 829

. 8072 5 1

6 1 145 237

20
Bismuth Titanium Oxide, Bii2Ti02

CAS registry no. 12441-73-5

Sample

Bi203 and Ti02 were melted together in the

ratio of 6 to 1 moles and a single crystal

was pulled by the Czochralski technique

(Levin and Roth, 1964).

Color

Single crystal: dark red brown

Ground: grayish yellow

Structure

Cubic, 123 (197). Assumed to be isomorphous

with Bii2Ge02o (Abrahams et al., 1967).

Crystallographic constants of this sample

a = 10.17391(13) A

Z - 2 V = 1053.08 A^

Density (calc) = 9.069 g/cm^

Figure of merit

F30 = 111.0(0.0090,30)

References

Abrahams, S. C, Jamieson, P. B., and

Bernstein, J. L. (1967). J. Chem. Phys

.

47, 4034.

Levin, E. M. and Roth, R. S. (1964). J. Res. Natl. Bur. Stand., Sect. A, 68, 197.

0 CuKa^ A ~ 1 .540598 A mean T = 25 9 °C Internal standard W a 3. 16524

0A

d(A) J rel hk£ 2e(°) a = ±3

7. 19 1 1 1 0 12.296

5 .080 3 2 0 0 17.444

4. 152 4 2 1 1 21.381

3.595 23 2 2 0 24.747

3.218 100 3 1 0 27.701

2.936 25 2 2 2 30.424

2.720 77 3 2 1 32.901

2.543 3 4 0 0 35.263

2.398 11 3 3 0 37.482

2.2750 12 4 2 0 39.583

2. 1691 20 3 3 2 41 .603 2.0763 13 4 2 2 43.554

1.9959 20 5 1 0 45.403

1 .8578 11 5 2 1 48.993

1.7982 1 4 4 0 50.729

1.7447 46 5 3 0 52.401

1.6959 22 6 0 0 54.028

1.6506 35 6 1 1 55.637

1 .6090 1 6 2 0 57.207

1.5700 4 5 4 1 58.766

0 d(A) , rel

I a = ±3

hk£ 2e('^)

1 .5335 6 6 2 2 60.307

1 .4996 26 6 3 1 61 .816

1 .4687 3 4 4 4 63.268

1 .4389 10 5 5 0 64.736

1.4107 2 6 4 0 66 . 192

1 . 3844 9 7 2 1 67.617

1 . 3599 4 6 4 2 69 .002 1.3359 2 7 3 0 70.426

1.2920 6 6 5 1 73. 196

1 .2716 1 8 0 0 74. 569

1 .2522 5 7 4 1 75.929

1 .2336 2 6 4 4 77.277

1 .2158 16 6 5 3 78.626

1 . 1991 14 6 6 0 79 .939

1 . 1827 13 7 5 0 81.277

1 . 1670 1 6 6 2 82.612

1 . 1519 4 7 5 2 83.941

1 . 1374 2 8 4 0 85.256

1 . 1235 4 9 1 0 86.569

1 . 1100 5 8 4 2 87 . 886

1 .0972 8 7 6 1 89 . 189

1 .0847 1 6 6 4 90.498

1 .0724 5 9 3 0 91 .824

1 .0493 3 9 3 2 94.463

1 . 0384 1 8 4 4 95 . 770

1 .0278 12 7 7 0 97.094

1 .0174 3 10 0 0 98.423

1 .0075 3 10 1 1 99 . 738

.9976 3 10 2 0 101 . 089

. 9882 5 9 5 0 102 . 433

.9792 2 10 2 2 103.752

.9701 6 10 3 1 105 . 132 .9529 3 8 7 1 107.877

.9446 3 10 4 0 109.269

.9365 5 9 6 1 110.673

.9287 2 10 4 2 112.081

. 9211 4 11 1 0 113.501

.9064 5 10 5 1 116 . 398

.8923 3 9 7 0 119.364

.8855 6 10 4 4 120.891

.8789 9 9 7 2 122.442

.8725 2 10 6 0 123.984

.8661 4 11 4 1 125.586

.8538 4 9 6 5 128.910

.8478 3 12 0 0 130.612

. 8419 10 1

1

5 0 132 . 384

.8307 4 10 7 1 136.025

.8253 2 12 2 2 137.941

.8198 3 12 3 1 139 .973 .8093 3 11 6 1 144.260

.7993 2 9 9 0 149 .017

21
Boron Nitride, BN

CAS registry no. 10294-33-4

Sample

The sample was obtained from the Carborundum

Co., Niagara Falls, N.Y.

Color

Colorless

Structure

Hexagonal, P63/mnic (194). The structure was determined by Pease (1952).

Crystallographic constants of this sample

a = 2.50441(7) A

c = 6.6562(4)

c/a = 2.6578

V = 36.158 A^

Density (calc) = 2.280 g/cm^

Figure of merit

F20 = 71.5(0.011,25)

Polymorphism

A high pressure wurtzite-type form (borazon)

was described by Soma et al. (1974) and

another high pressure zinc blende type structure was described by Coleburn and

Forbes (1968).

Additional pattern

PDF card 9-12 (Hatfield Ltd., Sheffield and A.E.R.E. Harwell, Didcot, Berks, England).

References

Coleburn, N. L. and Forbes, J. W. (1968).

J. Chem. Phys. 48, 555.

Pease, R. S. (1952). Acta Crystallogr. 5, 356.

Soma, T., Sawaoka, A., and Saito, S. (1974). Mater. Res. Bull. 9, 755.

CuKa K - 1 .540598 A; mean T - 26±2 °C Internal standard SRM

0 d(A)

jrel hk£ 2e(°) a = ±1

3.328 100 0 0 z

0 ^ -7 /: r ZD . /DD

2.169 15 1 0 U 2 . 0619 6 1 0 1

/ 0 oil 1.8176 9 1 0 2 50. 150

1 . 6636 6 0 0 4 55. 165

1.5509 IL 1 0 3 59.561

1 . 3198 2 1 0

/ 71.412

1 . 2521 5 1 1 u

1 . 1 720 5 1 1 2 82. 177

1 . 1 346 IL 1 0 5 85.521

1 . 1095 IL 0 0 0

Q "7 n /. 0 1.0843 IL 2 0 U

1 .0311 1 2 u 2 yo . DO

/

1 .0005 3 1 1 4 100.690

.9877 IL 1 0 6 102.501

.9086 IL 2 0 4 115.941

.8319 IL 0 0 8 135.641

.8304 1 1 1 6 136. 150 .8197 IL 2 1 0 140.003

. 7960 IL 2 1 2 150.810

22
Boron Phosphate, BPO4

Synonym

Boron orthophosphate

Sample

The sample was obtained from City Chemical

Corp., New York, N.Y.

Color

Colorless

Structure

Tetragonal, 14 (82). The structure was determined by Schulze (1934).

Crystallographic constants of this sample

a = 4.34253(15) A

c = 6.6415(4)

c/a = 1.5294

V = 125.24 a3

Density (calc) = 2.805 g/cm^

Figure of merit

F28 = 112. 1(0.0063,36)

Polymorphism

Three other forms of BPO4 are reported. A quartz-like hexagonal (Shafer et al., 1956)

and two high pressure hexagonal forms

(Mackenzie et al., 1959, and Dachille and

Dent-Glasser, 1959).

Additional pattern

PDF card 14-696 (deWolff, priv. comm.)

References

Dachille, F. and Dent-Glasser, L. S. (1959). Acta Crystallogr. 12, 280.

Mackenzie, J. D., Roth, W. L., and Wentorf,

R. H. (1959). Acta Crystallogr. 12, 79.

Schulze, G. E. R. (1934). Z. Phys . Chem. B. 24, 215.

Shafer, E. C, Shafer, M. W. , and Roy, R. (1956). Z. Kristallogr. 108, 263.

0 CuKu^ A = 1 .540598 A; mean T = 26±1 "C

TXLlLCrl n f y nlid^ 11 Q t" a n H A r" H Ag, a - 4

.

0 0865 1 A

0 d(A)

jreiT hk£ 2e(°) a = ±1

J . VJ J J 100 1 0 1 24. 468

^J 1 . I 0 0 2 26.826

4 1 1 0 29 . 064

2.2546 34 1 1 2 39.956

1.9719 2 1 0 3 45.988

1 8641 10 2 1 ] 48.815

1.8175 5 2 0 2 50 . 152

1 . 6604 IL 0 0 4 55 . 282

1 .5354 1 2 2 0 60.222

1.4597 10 2 1 3 63.700

1 . 4146 IL 3 0 1 65.987

1 . 3936 IL 2 2 2 67 . 109 1.3732 2 3 1 0 68 . 244

1 . 3192 5 2 0 4 71 .454

1 .2689 4 3 1 2 74.753

1.2114 2 3 0 3 78.970

1 . 1851 4 3 2 1 81 . 084

1 . 1272 1 2 2 4 86 . 218

1 . 1069 IL 0 0 6 88. 198

1 .0964 2 2 1 5 89.265

1 . 0859 IL 4 0 0 90 . 370

1 . 0580M 1 3 1 4 93 . 450

1 .0580M 3 2 3 93.450

1.0402 3 4 1 1 95.558

1 .0319 IL 4 0 2 96.569

.9861 IL 2 0 6 102. 726 .9781 1 3 3 2 103.915

.9511 IL 4 1 3 108. 181 .9319 IL 4 2 2 111 .497

23
Cadmium Aluminum Oxide, CdAl204

Synonyms

Cadmium aluminate

Cadmium metaaluminate

CAS registry no. 12252-16-3

Sample

The sample was prepared by heating CdO and

y-Al203 in a sealed platinum tube for 18 hours at 975 °C, followed by 20 hours at 1200 °C.

Structure

Rhombohedral , R3 (148). Phenakite type

(Colin and Thery, 1966)

Crysta llographic constants of this sample

(Hexagonal axes)

a = 14.2146(3) A

c = 9.5698(3)

c/a = 0.6732

Z = 18 V = 1674.57

Density (calc) = 4.112 g/ cm^

Figure of merit

F30 = 228.6(0.0031,43)

Polmorphism

At higher temperatures a cubic (spinel) form

has been reported (Hahn et al., 1955).

Additional pattern

PDF card 22-119 (Colin and The'ry, 1966)

References

Colin, F. and Thery, J. (1966)

Acad. Sci. Ser. C, 263, 1220.

C. R. Seances

Hahn, H., Giinter, F., Klingler, W. , Storger, D. , and Storger, G. (1955). Z. Anorg. Allg. Chem.

279, 241.

CuKa^ A = 1.540598 A; mean T = 26 . 1 °C Interna 1 standard Si, SRM 640a

o d(A) J rel hk£ 2e(°) a = ±2

7. 107 9 1 1 0 12.444

5. 177 7 0 2 1 17.115

/ / ^ A 4 . 460 31 0 1 2 19 . 889

4.185 78 2 1 1 21.211

4. 104 39 3 0 0 21 .639

3.5527 86 2 2 0 25.045

3.3355 19 1 2 2 26.705

3.2157 28 1 3 1 27.719

2 .9105 91 1 1 3 30.694

2.7794 6 3 1 2 32. 180

2.6868 100 4 1 0 33.321

2.5889 5 0 4 2 34.620

2 . 4318 8 2 3 2 36.934

2.3737 58 2 2 3 37.873

2.3483 19 1 0 4 38.297

2.2605 11 2 4 1 39.847

2. 1892 23 5 0 2 41 .202

O 1 C / 1 3 5 1 1 41 . 905

2. 1276 13 2 1 4 42.452

2.0923 8 4 2 2 43.205

2.0516 17 6 0 0 44. 107 2.0071 18 1 5 2 45. 136

1 . 9799 1 z

/.H 3 1 45 . / 9 1 1.9711 13 5 2 0 46.008

1 .9594 3 1 3 4 46.299

1 .9021 37 3 3 3 47.780

1 .8641 8 3 4 2 48.817

1 . 8425 2 1 6 1 49 . 425

1 .8251 9 3 2 4 49.930

1.7768 2 4 4 0 51.384

1.7700 9 1 2 5 51.597

1 .7474 2 6 1 2 52.313

1 . 7296 5 3 5 1 52 . 892

1 .7254 7 6 0 3 53.032

1 .7157 6 0 5 4 53.354

1 .6805 13 6 2 1 54.565

1 .6767 7 5 2 3 54.697

8

5

~j ]^ 54 . 992

1 .6684M 2 4 4 54.992

1 .6504 1 0 7 2 55.645

1 .6303 13 7 1 0 56.391

1 .6237 10 5 1 4 56.641

1 .6079 1 2 6 2 57 .248

1 .5949 13 0 0 6 57.759

1.5510 10 6 3 0 59.558

24
Cadmium Aluminum Oxide, CdAlgO^ - (continued)

d(A) a = ±2

hkje 2e(°)

1 .5194 2 0 8 1 60.923

1 .4971 1 4 5 2 61 .933

1 . 4860M 5 3 0 6 62.448

1 . 4860M 2 7 1 62 . 448

1 .4778 3 4 2 5 62.830

1 .4649 1 8 0 2 63.448

1.4554 12 2 2 6 63.914

1 .4520 35 7 1 3 64.078

1 . 4249 2 8 1 1 65 . 450

1 .4213 5 5 5 0 65.635

1.3947 19 6 3 3 67.049

1 . 3908 12 3 4 5 67 .266 1.3796 2 1 8 2 67.883

1.3715 6 4 1 6 68.338

1 .3679 10 9 0 0 68.543

1 .3544 4 6 4 2 69.324

1.3430 1 8 2 0 70 . 000

1.3303 2 3 7 2 70.766

1.3117 2 2 1 7 71 .925 1.2949 1 5 3 5 73.007

1.2766 4 7 4 0 74.230

1 .2732 2 2 7 4 74.457

1 .2693 1 1 3 7 74. 728

1 . 2593 4 6 0 6 75.425

1.2459 2 5 6 2 76.377

1 . 2400 3 5 2 6 76.809

1 .2161 2 4 6 4 78.605

1.2033 1 9 2 1 79.605

1 . 1990M 2 8 0 5 79.948

1 . 1990M 7 3 4 79 . 948

1 . 1853 4 7 4 3 81 .062

1 . 1825 4 7 2 5 81 .298

1. 1757 3 2 9 2 81 .867

1 . 1703 4 5 7 1 82.323

1 . 1685 5 10 1 0 82.480

1 . 1584 IL 1 2 8 83.356

1. 1547 1 8 4 1 83.685

1 1402 o 7 1 D

Q /. n o n B't . yyy

1. 1357 3 1 9 4 85.412

1 . 1329 3 4 3 7 85.678

1 . 1302 IL 4 8 2 85.930

1. 1120 4 6 3 6 87.691

1 .0982 1 2 10 1 89.082

1 .0970 IL 10 1 3 89.201

25
Cadmium Zinc Phosphate,

Sample

The sample was made by heating a mixture of

CdCOg, ZnO, and (NH4)2HP04 for 19 hours at 800 °C, followed by regrinding and heating

for 2 days at 800 °C.

Color

Colorless

Structure

Monoclinic, P2i/c (14). The structure was determined by Calvo and Stephens (1968).

The structure of this phase is related to graftonite (Fe ,Mn , Ca ) 3 (PO4) 2 and Cd2Zn(P04)2.

This phase called "Bss" has a range of

composition from 20% to 35% Cd3(P04)2 in the

system Cd3(P04)2 - Zn3(P04)2 (Brown and

Hummel, 1963).

Crystallographic constants of this sample

a = 9.0594(14) A

b = 11.5369(14)

c = 5.9197(8)

P = 98.556(14)° -

a/b = 0.7853 '

' c/b = 0.5131

Z = 4 V = 611.83 A3

Density (calc) = 4.651 g/cm^

Figure of merit

F30 = 61.5(0.012,41)

Additional patterns

Brown and Hummel (1963)

Majling et al. (1979) Calculated pattern

References

Brown, J. J. and Hummel, F. A. (1963). J. Electrochem. Soc. 110, 1218.

Calvo, C. and Stephens, J. S. (1968). Can.

^ J. Chem. 46, 903.

Majling. J., Raninec, S., and Durovic, S. (1979). Calculated Powder Diffraction

Patterns for Anhydrous Phosphates (VEDA

,

Bratislava, Czechoslovakia).

Cdo.9Zn2.i(P04)2

0 CuKa^ K = 1 .540598 A; mean T = 25 1 °C Interna 1 standards Si SRM 640a

Fluorophlogopite , SRM 675

0

^ rel hk£ 2e(°)

8.96 10 1 0 0 9 868

7.06 IL 1 1 0 12 . 523

5.760 IL 0 2 0 15.370

5.212 IL 0 1 1 16.997

ii. Ron z.9 _ \ ;[ 1 18.471

4.480 8 2 0 0 19 . 803

4.274 4 1 1 1 20 . 765

4. 177 13 2 1 0 2 1 . 253

4. 112 6 0 2 1 21.594

1 _

1 2 1 22.850

3.648 33 -2 1 1 24 . 383

3.592 22 1 2 1 24 . 768

3.532 53 1 3 0 25 . 196

3.213 10 0 3 1 27.744

? 107 q _ 1 28.713

2.988 35 3 0 0 29 . 880

2.950 47 1 3 1 30 . 277 2.926 47 0 0 2 30 . 522

2.916 49 2 3 0 30.633

2 . 883M 100 0 4 0 30.989

2.883M 2 2 1 30.989

2.838 32 0 1 2 31 . 496

2.824 31 -1 1 2 3 1 . 655

2.756 67 -3 1 1 32.462

Z. . / 4J u u

1I

l^ 0 32.590

2.668 8 1 0 2 33 . 558

2.635 8 -2 0 2 33 . 989

2.611 13 0 2 2 34 . 320

2.600M 17 -1 2 2 34.473

z . ouun 1

11 2 34.473

2.569 8 -2 1 2 OH . oy £. 2.546 2 -3 2 1 2.455 19 3 1 1 2.424 9 2 4 0 37.054

z z z 2 37.467

2.329 15 0 3 2 JO . U ^ J 2.308 5 -2 4 1 "^Q 009

2.284 12 -3 3 1 39 . 424

2.266 4 -3 0 2 39.744

2.240 1 4 0 0 40.222

2. 198 12 4 1 0 2.135 2 2 2 2 42 302

2. 114 5 -1 5 1 i.9 7^9

2. 109 8 -3 2 2 A9 8=^ 1 2. 103 2 3 3 1 42.971

2.063 3 1 5 1 43.860

2.051 10 2 5 0 44. 109 1.9786 8 -2 5 1 45.825

1 .9734 1 2 3 2 45.951

1.9517 25 -3 3 2 46.492

26
Cadmium Zinc Phosphate, Cdo . 9Zn2 . i ( PO4 )2 - (continued)

0 d(A) J re]

a = ±4

hk£ 26(°)

1 n 0 /. ID /. 3 u 4b . y z

/

1 0 0 0 /. J. iU 03 1 0z / . / 1 b 0 b 0 H / . Z 1 b

1 .9123 6 -4 3 1 47 .509

1 .8968M 12 2 5 1 47 .920

I . by Don / 1 2 47 . 920

1 . ooy

y

13 -z 1 3 HO . b DM

z 0 z 3 ny . z ju

1 .8274M 22 1 1 3 49.862

1 .8274M 0 6 1 49 .862

i . 0 1 UU /:D -

1

cJ z jU . J /

H

1 Q A A 1 1 . oUu

1

-7 - 1 b 1 jU . ny

Z

1 . /y/o / z z jU . /'tb 1.7903 4 -3 5 1 50.968

1.7719 22 4 3 1 51 .535

I . / D / 1 i z

0z D u 3 1 . bob

1 7 R 1 QM /, -

1

Q 3 02 . iby

11 7 1 QM . / J iyn /. -H / 1 DZ

.

1d9 1.7452 10 1 5 2 52.385

1.7404 15 0 3 3 52.539

-z

rD Z CO ^ 7 Q jz . b /y

T 7 111 z

c Z U CO c 1 n

11 . 7nnoM / uuzn ~Z QJ CO Q Q 0 D J . ooZ 1.7002M 3 5 1 53.882

1 .6813M 9 -3 2 3 54.536

1 ^ 0 1 OM i . bo i jn z 1 3

c /, C 0 OH . D Jb

1 /. /. z b 1 C C 1 Q 7

i . 04 1 un z 1 c c n nr\ jc) . y yu

1 .6410M -5 0 2 55.990

1 .6288M 8 2 2 3 56.447

1 ^ 0 0 OM i . o/oon z 5 z

C ^ A /. 7 Db . 44

/

D -5 1 0z J b . bU 1 5 3 (J Db . bU

1

1.6211 6 1 7 0 56.742

1 .6162M 7 -3 5 2 56.930

1 . 6162M 0

/ 3 56 . 930

1 c n 0 Q

1 . 59 jo 5 5 1 c 7 0 n 0 D / . OUZ

1 .5837 03 -2 / 3 CO 0 n £^ 30 . ZUO 1.5786M 4 -4 1 3 58.413

1 .5786M -5 2 2 58.413

1 c 7 0 n

1 . 5 /jy 1 -

1

/ 1 c Q ^^r\o JO . bU

J

1 . 5352 1

y. z i bU . Z J i

1 /. J 't 3 D

11

z; n c Q ^ DU . job

1.5271M 4 3 2 60.586

1.5209 10 -5 4 1 60.860

1 .5147 1 -2 7 1 61.133

1 /i Q Q n 1

c; 0 AD 1i . RQQy 7

1 .4896M 1 0 5 3 62.278

1 .4896M 3 5 2 62.278

1 .4805 2 6 1 0 62. 705

1 .4768M 1 2 7 1 62.881

1.4768M -4 5 2 62.881

27
Calcium Iron Silicate (Kirschstei nite), CaFeSi04

Sample

The sample was prepared from CaC03, Fe203,

and Si02. The components, in stoichiometric

proportions, were blended with a mortar and

pestle in acetone. After drying, the sample

was heated in an iron crucible in three eight

hour stages; 1075 °C, 1110 °C, and 1140 °C

in a controlled atmosphere with the partial

pressure of oxygen less than or equal to 10-1^ atm.

Color

Yellowish gray

Structure

Orthorhombic , Pmnb (62). The structure was studied by Sahama and Hytonen (1958). Their

results were derived by analogy of the

f osterite-fayalite series as reported by

Yoder and Sahama (1957).

Crystallographic constants of this sample

a = 6.4413(7) A

b = 11. 1586(12)

c = 4.8753(3)

a/b = 0.5772

c/b = 0.4369

V = 350.42 A^

Density (calc) = 3.564 g/cm^

Figure of merit

F30 = 92.1(0.0072,45)

Additional pattern

PDF card 11-477 (Sahama and Hytonen, 1958)

References

Sahama, Th. G. and Hytonen, K. (1958). Am. Mineral. 43, 862.

Yoder, H. S., Jr. and Sahama, Th. G. (1957).

Am. Mineral. 42, 475.

CuKa,^ A = 1.540598 A; mean T = 26.0 °C Internal standard Si, SRM 640a

° rel d(A) I hk£ 2e(°) a = ±5

J J / y J I u z9 U

1 q13 R70 / Z9 4 466 13 0 1 1 19 865

4 217 16 1 2 0 21 .049

J OOO 1 1 i 1 i AU 11 9ZZ9 . oOM-

-3J A79M 0 / zi 1 J y nw z9 1 ZH ZZ9 911

D

11111I ZH 9 9 1

. ZZ 1 3 222 9 2 0 0 27 .662

3 190 8 1 2 1 27 946

7 Q ^ 1

L

u

Q

i Z9 171 / 9 7RQM 3^ 0 A AU jZ OAWDZ9

z 7RQM / oyi I z9 z9 jZ UDZ

2 687 67 1 3 1 33 315

2 612 100 2 1 1 34 298

J 0 U H 11 AD 1 Au J J

nu 11 R

0

*4 J / 3 11 z9 u U z9 JO RZl^^ 0*4 J

9 H Z. U 01 J Z9 7/ Au

A 9 7 1 flR 2 4208M 2 2 1 37 108

2 3809 7 0 1 2 37 753

2 z. 0 z 01

1

Q0 n z9 z9 2 2328M 1 z9 JDZ

9 1Lily 7 7Q i 3 z9 1 A9HZDA

2 1097M 3 1 2 2 42 831

2 1097M 2 4 0 42 831

Z9 (T^R 1

C.D nu J

9z LL L^ L

9z \J Ay ^ Qy u

c:J J. LL D 1 J

11 Q A /j / 1 T U 1 HO/. A 1 7 A

1 9351 + 10 2 4 1 46 914

1 9351 + 3 1 1 46 914

i Q 1 ^ n V 1 3 u

9z9z i 9ZA 7 A 9 7

I R R /. 0J

9Z J A Q 1 1 D

L Q 0 C OM 0 Jj jn Q Q 03 (J z

A n ^ Q A

1 2 2 z h9 0

1 7870 8 1 6 0 51 071

1 7649 9 1 4 2 51 757

1 7375M 17 0 6 1 52 635

1 7375M 3 3 1 52. 635

1 7167 18 2 5 1 53. 322

] 7015 10 3 4 0 53. 835

1 6105M 51 2 6 0 57. 150

1 6105M 4 0 0 57. 150

1 5949M 12 1 5 2 57. 760

1 5949M 2 4 2 57. 760

1 5603M 7 0 2 3 59. 167

1 5603M 1 1 3 59. 167

1 5475M 4 3 2 2 59. 703

28
Calcium Iron Silicate (Ki rschstei ni te) , CaFeSi04 - (conti nued)

d(A) J re 1

n — +;

2e(°)

1 A 7 ^ M Z A

u jy . /uj

1 .5154M 17 0 7 1 61 . 103

1 .5154M 4 1 1 61 . 103

1 / C Q o uQJ

oJ

1 /i 7 /• T + 1 o CJ

11

1 / 7 / "5 -1- o/ 1 AO n n "7 Dz . y y /

1 .4659 IL 2 5 2 63.403

1 .4508 4 1 3 3 64. 139

1 /. Q 7 Q z i J D4 . / 4

J

1 /i 1 /. '5 oo

O 11

z: An/. DD . UU4

11 . ZiOAOM H- Wl 1 Qy A A4

O ADOA . J

^ AA40

1 . A040M 2 2 3 66.546

1 .3949+ 5 0 8 0 67 .042

1 '5QAQ + A A4 A 7 n A 9 D / . U4Z

1 "57 0 "5 Z1 4

o Aft Do 9 Q R

.

ZVj

1 . 1 o z Z

o oJ A Q /.7ft . 4 /

o

1.3439M 9 2 6 2 69.948

1.3439M 4 0 2 69.948

I . J J M- 41

1

1 7/ oz 7n R 1 A

1 A A M A4

11 Z

7/ nU . R 1 A D i 4

i . J 1 J /

1.i 7/ 11 7Q A

.

/ yO

1 .3061+ 1 3 5 2 72.281

1.3061+ 4 2 2 72.281

1i . Z.yOU 9Q An 1 O U J

7 9 0*^7

1i . Zo9 ft 7/1It+ Oz Z

A4

o

/ J . J zu

1i . Zo0 ft 7 1 +

/

It o 11 o 7 c: 9n / J . jZU

1.2800 3 2 8 0 73.999

1 .2614 2 4 5 1 75.279

1 .2380+ IL 2 8 1 76.955

1.2380+ 3 7 1 76.955

1.2235M 1 0 6 3 78.040

1 .2235M 3 3 3 78.040

1.2189 6 0 0 4 78.391

1 .2164 7 2 5 3 78.585

1 .2106M 6 0 8 2 79.029

1 .2106M 4 4 2 79.029

29
Calcium Magnesium Silicate (Monticel 1 i te) , CaMgSi04

Synonym

Calcium magnesium orthosilicate

CAS registry no. 14567-83-0

Sample

The sample was made by heating a mixture of

CaCOs, basic magnesium carbonate and Si02 at 900 °C, followed by heating at 1350-1380 °C for 420 hours with periodic grindings.

Color

Colorless

Optical data

N = 1.641, N„ = 1.649, N = 1.655 (-) 2V =

Of ' p ' y 80° (Sahama and Hytonen, 1958).

Structure

Orthorhombic , Pmnb (62). Olivine type (Brown

and West, 1927). The structure was determined

by Brown and West (1927) and refined by Onken

(1964)

.

Crystal lographic constants of this sample

a = 6.3666(6) A

b = 11.0741(11)

c = 4.8224(6)

a/b = 0.5749

c/b = 0.4355

V = 340.00 a3

Density (calc) - 3.057 g/cm^

Figure of merit

F30 = 76.4(0.010,39)

Additional patterns

PDF card 19-240 (United Steel Co. Ltd.,

Rotherham, U.K.)

Sahama and Hytonen (1958)

References

Brown, G. B. and West, J. (1927). Z. Kristallogr. , 66, 154.

Onken, H. (1964). Naturwissenschaften 51 , 334.

Sahama, Th. G. and Hytonen, K. (1958). Am. Mineral. 43, 862.

CuKa A - 1.540598 A; mean T = 26±2 °C

^ o Internal standards Ag, a = 4.08651 A Fluorophlogopite , SRM 675

d(A) l"^^^ hk£ 2e(°) a = ±4

J

CL "3 Q Q U

0zAU1 c Ij yy u

4 425 3 0 1 1 20 052

4 183 25 1 2 0 21 225

3 845 13 1 0 1 23 113

3 634M 51 0 2 1 24 474

QJ I 1 1/. 7 /. 3 185 26 2 0 0 27 995

3 159 10 1 2 1 28 229

2 932 44 0 3 1 30 465

2 768 6 0 4 0 32 312

0z 7 A 1 D Z

9Z nU T 7 jZ /.no 'H'U z 2 664 100 1 3 1 33 620

2 584 59 2 1 1 34 684

2 540 21 1 4 0 35 301

2 396 29 2 2 1 37 499

z

7 Qy n\J

11 9Z JO i JU

2 247 1 1 4 1 40 095

2 210M 10 0 2 2 40 798

2 210M 1 1 2 40 798

2 1557 1 2 3 1 41 872

/

r\ 0 n Q /,H u zoy

2 0188 2 0 3 2 44 861

2 0127 2 0 5 1 45 004

1 9815 IL 3 2 0 45 754

1 9424 IL 3 0 1 46 729

1 9222 5 2 0 2 47 248

1 9131 9 3 1 1 47 486

I 8941 2 2 1 2 47 994

1 8462 1 0 6 0 49 320

1 8327 4 3 2 1 49 709

1 8160 60 2 2 2 50 198

1 7730 8 1 6 0 51 503

1 7485 10 1 4 2 52 276

1 7194 21 3 3 1 53 232

1 7013 6 2 5 1 53 842

1 6844 9 3 4 0 54 427

1 6637 IL 1 6 1 55 161

1 5965 25 2 6 0 57 697

1 5919 27 4 0 0 57 877

1 5796M 8 1 5 2 58 372

30
Calcium Magnesium Silicate (Monticel 1 ite) , CaMgSiO^ -

( conti nued

)

o d(A)

TP 1 I o = ±4

hk£ 2e(°)

1 . 5796M 2 u 2 58 . 372

1 . 5433 9 1 1 3 59 . 883

1.5311 3 3 2 2 60.409

1 .5032 12 0 7 1 61 .653

1 .4736 IL 0 3 3 63.029

1 . 4578 1 2 1 63 . 796

1 . 45 14 1 2 5 2 64 . 1 10

1 . 4357 1 1 3 3 64.897

1 .4229 2 2 1 3 65.552

1 .3987 6 4 3 1 66.833

1 . 389

1

12 2 2 3 67 . 355

1 . 3804 3 3 4 2 67 . 837

1 .3592 4 2 7 1 69.047

1 .3312 1 2 6 2 70.708

1.3280 2 4 0 2 70.907

1 . 3188 IL 4 1 2 71 .477

1 .2932 1 3 5 2 73.118

1 .2731 4 3 1 3 74.466

1 .2692 4 2 8 0 74.733

31
Calcium Magnesium Silicate (Akermani te) , Ca2MgSi207

Sample

The sample was prepared from basic magnesium

carbonate, CaCOs and Si02. The product was calcined at 850 °C then heated for 6 days

between 1300-1380 °C with periodic grinding.

To adjust the composition, 2% Si02 was added

before the final heating at 1380 °C for 48 hours

.

Color

Colorless

Structure

Tetragonal, P42im (113), isostructural with

Ca2ZnSi207 (Andrews, 1948). The structure

of Ca2ZnSi207 was determined by Warren and

Trautz (1930).

Crystallographic constants of this sample

a = 7.8332(2) A

c = 5.0069(2)

c/a = 0.6392

V = 307.22 A^

Density (calc) = 2.947 g/ cm^

Figure of merit

F30 = 93.3(0.011,30)

Additional patterns

PDF card 10-391 (Ervin and Osborn, 1949)

Andrews (1948)

O'Daniel and Tscheischwili (1945-48)

References

Andrews, K. W. (1948). Mineral. Mag. 28, 374.

Ervin, G., Jr. and Osborn, E. F. (1949). Am. Mineral. 34, 717.

O'Daniel, H. and Tscheischwili, L. (1945-48). Neues Jahrb. Mineral., Monatsh. A65 , 60.

Warren, B. E. and Trautz, 0. R. (1930). Z. Kristallogr. 75, 525.

CuKa A = 1.540598 A; mean T = 25±1 °C

^ o Internal standards W, a = 3.16524 A Fluorophlogopite , SRM 675

d(A) I hk£ 2e(°)

a = ±2

5 538 9 1 1 0 15 991

5 010 2 0 0 1 17 689

4 222 7 1 0 1 21 027

3 917 4 2 0 0 22 685

3 716 12 1 1 1 23 928

3 504 5 2 1 0 25 399

3 087 23 2 0 1 28 903

2 872 100 2 1 1 31 117

2 771 4 2 2 0 32 277

2 505 4 0 0 2 35 821

2 478 15 3 1 0 36 224

2 425 7 2 2 1 37 046

2 386 8 1 0 2 37 673

2 316 9 3 0 1 38 849

2 282 3 1 1 2 39 452

2 221 1 3 1 1 40 589

2 172 IL 3 2 0 41 536

2 110 1 2 0 2 42 828

2 0372 13 2 1 2 44 434

1 9928 2 3 2 1 45 480

1 9581 6 4 0 0 46 331

1 9005 6 4 1 0 47 822

1 8572 5 2 2 2 49 009

1 8462 9 3 3 0 49 321

1 8237 IL 4 0 1 49 969

1 8075 1 3 0 2 50 448

1 7764 10 4 1 1 51 396

1 7609 20 3 1 2 51 883

1 7519 8 4 2 0 52 169

1 7327 3 3 3 1 52 791

1 6690 2 0 0 3 54 974

1 6531 1 4 2 1 55 546

1 6411 2 3 2 2 55 989

1 6325 1 1 0 3 56 309

1 5980 2 1 1 3 57 637

1 5421 IL 4 0 2 59 935

1 5355 2 2 0 3 60 221

1 5133 IL 4 1 2 61 195

1 5066 5 2 1 3 61 499

1 4951 IL 5 0 1 62 025

1 4861 2 3 3 2 62 442

1 4683 3 5 1 1 63 286

1 4544 IL 5 2 0 63 959

1 .4352 1 4 2 2 64 919

1 4296 4 2 2 3 65 208

32
Calcium Magnesium Silicate (Akermani te) , Ca2MgSi207 - (continued)

o d(A) ^ rel

I a = ±2

hk£ 26 (°

)

1 .4063 3 3 0 3 66.428

1 .3966 7 5 2 1 66.949

1.3846 3 4 4 0 67.608

1.3435 3 5 3 0 69.968

1 . 3344 2 4 4 1 70.514

1 .3282 IL 4 3 2 70.893

1 .3096 2 5 1 2 72.058

1 .3054 2 6 0 0 72.324

1 .2974 1 5 3 1 72.843

1 . 2879 1 6 1 0 73.469

1 .2702 1 4 0 3 74.668

1 .2576 4 5 2 2 75.546

1.2538 6 4 1 3 75.811

1.2516 2 0 0 4 75.971

1 .2471 1 6 1 1 76 . 291

1.2380 2 3 3 3 76.956

1 .2119 1 4 4 2 78.933

1 .2083 1 4 2 3 79.213

1 .2022 2 6 2 1 79.695

1 . 1922 IL 2 0 4 80 . 495

1 . 1884 3 5 4 1 80.809

1 . 1838 1 5 3 2 81. 193

1 . 1787 1 2 1 4 81.615

1. 1677 1 6 3 0 82.551

1 . 1577 1 6 0 2 83 . 422

1 . 1450 IL 6 1 2 84.557

1 . 1421 1 4 3 3 84.824

1 . 1405 1 2 2 4 84.976

1 . 1302 3 5 1 3 85.931

1 . 1287 2 3 0 4 86 . 072

1.1173 1 3 1 4 87. 170 1.1101 2 6 2 2 87.882

1 . 1076 IL 5 5 0 88. 125 1.0990 1 5 4 2 88.997

1.0966 1 5 2 3 89.247

1.0864 IL 6 4 0 90.314

1.0760 IL 7 2 0 91 .427 1.0584 IL 6 3 2 93.408

1.0519 IL 7 2 1 94. 159 1.0452 1 4 1 4 94.948

33
Calcium Magnesium Silicate (Merwinite), Ca3Mg(Si04)2

Synonym

Tricalcium magnesium orthosilicate

CAS registry no. 13596-18-4

Sample

The sample was made by heating CaCOs^basic

magnesium carbonate and Si02 overnight at 900 °C, followed by heating at 1380 °C for

39 hours, and 1350 °C for 240 hours with

intermediate grindings.

Color

Colorless

Structure

Monoclinic, P2j/a (14) (Yamaguchi and

Suzuki, 1967). The structure was determined

by Moore and Araki (1972).

Crystallographic constants of this sample

a = 13.298(3) A

b = 5.3046(12)

c = 9.352(3)

p - 92.09(2)°

a/b = 2.5069

c/b = 1.7630

V = 659.26 A^

Density (calc) 3.312 g/cm^

Figure of merit

F30 = 33.6(0.012,73)

Additional patterns

PDF card 4-728 (Phemister et al., 1942) PDF card 25-161 (Moore and Araki, 1972)

Yamaguchi and Suzuki (1967)

References

Moore, P. B. and Araki, T. (1972). Am. Mineral. 57, 1355.

Phemister, J., Nurse, R. W. , and Bannister,

F. A. (1942). Mineral. Mag. 26, 225.

Yamaguchi, G. and Suzuki, K. (1967). Yogyo

Kyokaishi (J. Ceram. Assoc. Jpn.) 75, 220.

CuKa K - 1.540598 A; mean T - 26±2 °C

o Internal standards Ag, a = 4.08651 A Fluorophlogopite, SRM 675

d(A) I hk£ 2e(°) a = ±2

9 33 1 0 0 1 9 473

6 64 3 2 0 0 13 317

4 609 3 0 1 1 19 242

4 379 2 -1 1 1 20 264

4 335 3 1 1 1 20 471

3 890 6 -2 0 2 22 843

3 759M 2 2 0 2 23 647

3 759M 2 1 1 23 647

3 508 1 0 1 2 25 371

3 325 9 4 0 0 26 792

3 169M 7 -4 0 1 28 137

3 169M 3 1 1 28 137

3 067 2 2 1 2 29 .096

2 816 2 4 1 0 31 746

2 756 26 -4 0 2 32 .458

2 719 12 -4 1 1 32 .920

2 687 100 0 1 3 33 324

2 671 65 4 1 1 33 521

2 653 47 0 2 0 33 758

2 509 1 -1 2 1 35 765

2 465M 3 2 1 3 36 423

2 465M 2 2 0 36 423

2 330 5 -3 1 3 38 614

2 321 12 -5 1 1 38 773

2 307 10 0 2 2 39 015

2 285 7 5 1 1 39 401

2 267M 5 1 2 2 39 735

2 267M 3 1 3 39 735

2 230 9 -2 0 4 40 413

2 214 19 6 0 0 40 724

2 192 2 -2 2 2 4

155

2 179 10 2 0 4 41 411

2 168 \ \ 2 2 2 41 626

2 137M 1 0 1 4 42 256

2 137M 6 0 1 42 256

2 121M 2 -1 1 4 42 592

2 121M -4 1 3 42 592

2 100 1 1 1 4 43 037

2 061 10 -3 2 2 43 895

2 031M 14 3 2 2 44 574

2 031M -6 0 2 44 574

2 014 1 4 2 1 44 974

1 9834 1 6 1 1 45 706

1 9111 35 -4 2 2 47 539

1 8787M 24 4 0 4 48 412

1 8787M 4 2 2 48 412

1 8258 1 -4 1 4 49 909

34
Calcium Manganese Phosphate Fluoride, Ca^Mn-^ ( PO^ )(;F2

Synonym

Calcium manganese orthophosphate fluoride

Sample

The sample was obtained from the General

Electric Co., Chemical Products Plant,

Cleveland, OH.

Color

Pink white

Structure

Hexagonal, P63/m (176) (Schroeder, 1982).

Crystal lographic constants of this sample

a = 9.3286(4) A

c = 6.7678(9)

c/a = 0.7255

Z - 1 V - 510.05

Density (calc) = 3.380 g/cm"^

Figure of merit

F30 = 127.7(0.0073,32)

Reference

Schroeder, L. W. (1982). Private communication.

CuKa J A = 1.540598

0A; temp 26±1 °C Internal standard t a = 4 08651 A

d(A) ^rel

a = ±2

hk£ 2e(°)

8.08 7 1 0 0 10.947

5. 187 3 1 0 1 17.082

4.040 10 2 0 0 21 .985 3.843 7 1 1 1 23. 128 3.470 5 2 0 1 25.655

3.386 26 0 0 2 26.300

3. 122 14 1 0 2 28.570

3.054 18 2 1 0 29.219

2. 784 100 2 1 1 32. 123 2.740 37 . 1 1 2 32.657

2.694 64 3 0 0 33.233

2.595 22 2 0 2 34.542

2.5018 18 3 0 1 35.865

2.3318 1 2 2 0 38.580

2.2664 6 2 1 2 39.738

2.2410 20 3 1 0 40.209

2.2061 3 2 2 1 40.873

2.1271 6 3 1 1 42.462

2. 1073 2 3 0 2 42.882

2.0312 3 1 1 3 44.573

d(A) J rel

a = ±2

hk£ 2e(°)

2.0200 2 4 0 0 44.834

1 .9701 2 2 0 3 46.032

1 .9358 3 4 0 1 46.897

1 .9203 25 2 2 2 47 . 299

1 .8680 12 3 1 2 48. 707

1 .8532 5 3 2 0 49 . 122

1 .8143 23 2 1 3 50.246

1 . 7874 15 3 2 1 51 .056

1 . 7628 15 4 1 0 51 .821

1 . 7346 1

1

4 0 2 52.730

1 . 7060 2 4 1 1 53.684

1 .6917 7 0 0 4 54. 175

1 .6256 7 3 2 2 56.569

1 .6159 1 5 0 0 56 . 941

1 . 5900M 2 1 1 4 57.954

1 .5900M 3 1 3 57.954

1.5715 2 5 0 1 58.705

1 .5637 1 4 1 2 59.026

1 .5550 1 3 3 0 59 . 388

1 .5266 5 4 2 0 60.606

1 .5157 4 3 3 1 61 .090

1 .4893 2 4 2 1 62.292

1 .4800 2 2 1 4 62.727

1 . 4580 9 5 0 2 63 . 785

1 .4512 3 5 1 0 64. 1 18

1 .4324M 9 3 0 4 65.065

1 .4324M 3 2 3 65.065

1 .4187 6 5 1 1 65.772

1 .4123 2 3 3 2 66 . 105

1 .3890 2 4 1 3 67.361

1 .3468 1 6 0 0 69 . 771

1 . 3339 2 5 1 2 70.546

1.3285 1 4 3 0 70.879

1.3032 3 4 3 1 72.466

1 .2936 3 5 2 0 73.094

1 .2705 2 5 2 1 74.641

1 .2640 2 4 2 3 75.094

1.2507 1 6 0 2 76.037

1 .2366 5 4 3 2 77 .061

1 . 2320 4 6 1 0 77.400

1 . 2202M 6 4 1 4 78.290

1 . 2202M 5 1 3 78 . 290

1 .2119 1 6 1 1 78.931

1.2084 4 5 2 2 79.204

1 . 1658 3 4 4 0 82 . 712

1 . 1542 1 5 3 0 83. 729

1 . 1493 1 4 4 1 84. 167

1 . 1446M 2 3 3 4 84.593

1 . 1446M 4 3 3 84.593

1 . 1334 2 4 2 4 85.632

1 . 1223 IL 5 2 3 86.685

1 . 1015 1 5 1 4 88. 745

1 .0921 5 5 3 2 89.713

35
Calcium Zirconium Phosphate, Ca2r4(P04)6

Synonym

Calcium zirconium orthophosphate

CAS registry no. 67972-87-6

Sample

The sample was made by heating a 1:4:6 molar

mixture of CaCOg, ZrOg and (NH4)2HP04 up to 500 °C. It was then reground and heated at 1300 °C overnight.

Color

Colorless

Structure

Rhombohedral , R"'~" . The structure is similar

to that of NaZr2(P04)3 (Chernorukov et al.,

1978).

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.7852(4) A

c = 22.682(2)

c/a = 2.5819

Z = 3 V = 1516.06 a3

Density (calc) = 3.203 g/cm^

Figure of merit

F30 = 163.9(0.0045,41)

Reference

Chernorukov, N. G., Korshunov, 1. A., and

Prokof'eva, T. V. (1978). Sov. Phys

.

Crystallogr. Engl. Transl. 23, 475.

CuKa^ A = 1.540598 A; temp. 26±1 °C Internal standards Si, SRM 640a

Fluorophlogopite , SRM 675

d(A)

- rel

a = ±5

hk£ 2e(°)

7 556 3 0 0 3 11 702

7 208 4 1 0 1 12 269

6 316 22 0 1 2 14 010

4 546 69 1 0 4 19 .512

4 392 82 1 1 0 20 .204

3 896 6 0 1 5 22 808

3 798 100 1 1 3 23 402

3 607 1 2 0 2 24 663

3 1594 63 0 2 4 28 223

2 9140 3 2 0 5 30 656

2 8651 95 1 1 6 31 192

2 6559 5 0 1 8 33 720

2 5643 26 2 1 4 34 962

2 5355 44 3 0 0 35 373

2 4286 3 1 2 5 36 984

2 4040 2 3 0 3 37 377

2 2735 8 2 0 8 39 609

2 1965 6 2 2 0 41 060

2 1860 7 1 1 9 41 265

2 1734 4 1 0 10 41 515

2 1507 4 2 1 7 41 975

2 1062 12 3 0 6 42 906

2 0745 2 3 1 2 43 594

2 0191 25 1 2 8 44 854

1 9777 15 1 3 4 45 846

1 9483 8 0 2 10 46 578

1 9134 2 3 1 5 47 479

1 8989 32 2 2 6 47 863

1 8895 2 0 0 12 48 117

1 8760 5 0 4 2 48 487

1 8130 1 2 0 11 50 287

1 8033 1 4 0 4 50 576

1 7807 23 2 1 10 51 262

1 7679 5 1 3 7 51 660

1 7538 1 0 4 5 52 109

1 7358 1 1 1 12 52 691

1 7004 2 1 0 13 53 875

1 6924 12 3 1 8 54 150

1 6759 2 1 2 11 54 727

1 6679 16 3 2 4 55 013

1 6597 28 4 1 0 55 305

1 6286 2 2 3 5 56 455

1 6212 2 4 1 3 56 736

1 5840 7 0 1 14 58 196

1 5793 7 0 4 8 58 384

36
cium Zirconium Phosphate, CaZr^(PO^)(; - (continued)

d(A) I hk£ 2e(°) a = ±5

1 .5446 15 1 3 10 59 829

1 .5366 2 3 2 7 60 173

1 .5197 16 4 1 6 60 911

1 .5159 1 3 0 12 61 079

1 .4904 11 2 0 14 62 243

1 .4865 8 2 3 8 62 424

1 .4745 4 3 1 1

1

62 990

1 .4694 6 0 5 4 63 233

1 .4640 7 3 3 0 63 491

1 .4572 7 4 0 10 63 825

1 .4374 1 3 3 3 64 811

1 .4298 3 1 1 15 65 198

1 .4114 10 1 2 14 66 152

1 3935M 5 2 4 4 67 114

1 3935M 1 0 16 67 114

1 3863 3 4 1 9 67 510

1 3832 3 3 2 10 67 682

1 3709 1 4 2 5 68 372

1 3648 4 3 3 6 68 720

1 3448 IL 1 3 13 69 892

1 3284M 9 5 1 4 70 883

1 3284M 0 2 16 70 883

1 3143M IL 2 4 7 71 763

1 3143M 0 1 17 71 763

1 3085 1 1 5 5 72 127

1 2852M 7 4 0 13 73 649

1 2852M 3 1 14 73 649

1 2822 1 4 2 8 73 851

1 2718 6 2 1 16 74 553

1 2682 3 6 0 0 74 803

1 2601 3 0 0 18 75 369

1 2430 1 3 4 2 76 587

1 2338M 1 3 2 13 77 266

1 2338M 0 4 14 77 266

1 2217 2 4 3 4 78 175

1 2185 4 5 2 0 78 421

1 2147 4 2 4 10 78 711

1 2116 2 1 1 18 78 954

1 2025M 1 5 2 3 79 669

1 2025M 6 0 6 79 669

1 1878 6 2 3 14 80. 859

1 1706 IL 5 1 10 82. 305

1. 1598 6 5 2 6 83 236

1 1446 3 3 4 8 84. 598

37
Cerium Oxide (Cerianite), Ce02*

CAS registry no. 1306-38-3

CuKa^ A = 1 540598

oA; mean T = 26.1 = C Sample Internal standard Ag, a = 4 08651 A This yttria-stabil ized phase was prepared

by Dragoo and Domingues (1982) from coprecipitation of the oxides. The powder was

d(A) J. rel

hkJZ 2e(°)

calcined at 620 °C and then formed into a a = ±1 billet without binder, isostatically pressed,

and then hot-pressed in an alumina die for 3 123 100 1 1 1 28 .555

30 minutes at 1350 °C with an applied stress 2 706 30 2 0 0 33 .082 nf 7R MPa 1 52 2 2 0 4 /

1 6318 42 3 1 1 56 .335 Color 1 5622 8 2 2 2 59 .087 Light gray yellowish brown

1 3531 8 4 0 0 69 .402 Structure 1 2415 14 3 3 1 76 .700

1 2101 8 4 2 0 79 .070 fluorite, CaF2 The structure of fluorite 1 1048 14 4 2 2 88 .412 was determined by Bragg (1914). 1 0415 1

5 1 1 95 .397

Crystallographic constants of this sample 9566 4 4 4 0 107 .265

a = 5.41134(12) A 9147

9019

13

6

5630

10 114

117 .730.317 8556 9 6 2 0 128 .393

Z = 4 V = 158.46 A^ 8252 6 5 3 3 137 .969 Density (calc) = 7.215 g/cm"^ 8158 5 6 2 2 141 .566 Figure of merit

= 134.1(0.0075,16)

"'Comment The true formula for this yttria-stabilized

phase is Ceo . 914Y0 . oseOi .957 This sample

was prepared to produce a high density

ceramic

References

Bragg, W. L. (1914). Proc. R. Soc. London,

A89, 468.

Dragoo, A. L. and Domingues, L. P. (1982).

J. Am. Ceram. Soc. 65, #5, 253.

38
Cesium Hydrogen Phosphate, CsH5(P04)2

Synonym

Cesium pentahydrogen diphosphate

Sample

The sample was prepared by mixing an 85%

solution of H3PO4 with CS2CO3. The pre- cipitate was washed with alcohol and dried

in air one week.

Color

Colorless

Structure

Monoclinic, P2i/c (14) (Ferrari, 1956),

confirmed by Norbert and Andre (1970).

Crystal lographic constants of this sample

a =^ 10.8814(11) A b = 7.7717(8)

c = 9.5320(9)

P = 96.586(10)°

a/b = 1.4001

c/b - 1.2265

Z = 4 V = 800. 77 A^ Density (calc) - 2.720 g/cm^

Figure of merit

F30 - 62.5(0.0098,49)

Additional pattern

PDF card 24-252 (Norbert, Univ. of Montpelier,

Lab. de Chimie Min., C, 1971)

References

Ferrari, A., Nardelli, M., and Cingi, M. (1956). Gazz Chim. Ital. 86, 1174.

Norbert, A., and Andre, D. (1970). C. R. Seances Acad. Sci. Ser. C. 270, 1718.

CuKa \ - 1.540598 A mean T = 25 6 °C Internal standards Si SRM 640a

Fluorophlogopite

SRM 675

d(A)

j-rel 2e(°) a = ±3

6.311 22 1 1 0 14.022

6.005 7 0 1 1 14.741

5.403 8 2 0 0 16.394

4.531 13 -1 0 2 19.577

4. 166M 39 -2 1 1 21 .311

4. 166M 1 0 2 21 .311 3.918 37 -1 1 2 22.678

3.879 40 2 1 1 22.909

3.785 37 -2 0 2 23.485

3.672 52 1 1 2 24.217

d(A) J rel

a = ±3

2e(°)

3.595 20 0 2 1 24.744

3.458 13 -1 2 1 25.743

3.404 24 -2 1 2 26. 160

3 . 369 /. /

1 I 1 zo . ^ J

3.271 100 3 1 0 27.244

3.094 8 2 1 2 28.828

3.038 5 -3 0 2 29.379

3.004 4 0 2 2 29.715

2.951 5 -

z z 2.923 17 0 1 3 30.555

2.902 3 -1 1 3 30. 791 2.841 4 1 2 2 31 .460 2.832 7 -3 1 2 31 .569 2.751 1

1 1 J jZ . DZD 2.721 7 3 0 2 32.892

2.711 11 -2 2 2 33.013

2. 701 8 4 0 0 33. 138 2.603 12 -3 2 1 34.421

2 . 569 -^1 3 1 Z

0 /. Q Q 1 2.548 14 2 2 2 35.196

2.535 4 -4 1 1 35.376

2.499 20 0 3 1 35.912

2.493 18 3 2 1 36.002

0 /. "7 0 D u z 2.451M 4 -1 3 1 36.636

2.451M 0 2 3 36.636

2.437 6 -1 2 3 36.849

2.419 3 1 3 1 37. 131

2 . 40

cJ 1 1 2.394 3 -3 2 2 37.535

2.371 14 -1 0 4 37.925

2.357 8 -4 1 2 38. 159 2.310 13 -2 2 3 38.952

2 . 294 1

-2 3 1 39 . Z33

2.265M 17 -1 1 4 39.757

2.265M -2 0 4 39.757

2.242 22 2 3 1 40. 199 2.218 5 4 2 0 40.644

2.175 5 -2 1

/ 41 . HOD

2. 1691 6 1 1 4 41 .603

2. 1626 6 5 0 0 41 .732

2. 1519 4 4 1 2 41 .950

2. 1147 3 -3 2 3 42.724

2. 1030 6 3 3 0 42.973

2 . 0828+ 9 -3 3 1 43 . 41

2.0828+ 5 1 0 43.411

2.0581 1 -5 0 2 43.960

2.0232 3 -1 2 4 44. 758

2.0118 6 2 1 4 45.025

2.0026 9 0 3 3 45.244

39
Cesium Hydrogen Phosphate, CsH5(P04)2 ~ (continued)

d(A) I hk£ 2e(°) a = ±3

I 9894M 7 -5 1 2 45 561

1 9894M 5 1 1 45 561

1 9531 4 1 2 4 46 457

1 9441 9 1 3 3 46 684

1 9396 8 4 2 2 46 799

I 9018 2 -4 2 3 47 787

1 8882M 4 5 2 0 48 154

1 8882M 4 1 3 48 154

1 8809M 7 3 0 4 48 352

1 8809M -1 4 1 48 352

1 8668 5 1 4 1 48 741

1 8628 5 -4 3 1 48 851

1 8478 1 -1 1 5 49 275

1 8334M 12 -5 1 3 49 688

1 8334M 5 1 2 49 688

1 8285M 7 3 1 4 49 830

1 8285M 2 4 0 49 830

1 8181M 5 -5 2 2 50 134

1 8181M 5 2 1 50 134

1 8072M 7 4 3 1 50 459

1 8G72M -3 3 3 50 459

1 8015 20 6 0 0 50 629

1 7554 2 6 1 0 52 058

1 7519 IL -6 0 2 52 170

1 7403 2 4 2 3 52 542

1 7181 IL -3 1 5 53 274

1 7085M IL -6 1 2 53 598

1 7085M -1 2 5 53 598

1 7020M 3 1 3 4 53 818

1 7020M 0 2 5 53 818

1 6985M 6 -3 4 1 53 938

1 6985M 3 3 3 53 938

1 6941M 5 4 3 2 54 090

1 6941M 3 2 4 54 090

1 6840 IL 2 4 2 54 443

1 6741 2 -2 2 5 54 791

1 6671 4 3 4 1 55 041

1 6555 1 1 2 5 55 459

1 6506 3 -1 4 3 55 637

1 .6392 4 -6 2 1 56 060

o d(A) a = ±3

hk;£ 2e(°)

1 . 6344 9 6 2 0 56 . 238

1 . 6089 2 -2 4 3 57.212

1 .5777+ 2 2 2 5 58.450

1 .5777+ 4 4 0 58.450

1.5728 2 -4 4 1 58.649

1 . 5558+ 5 -1 1 6 59 . 355

1 . 5558+ 4 3 3 59 . 355

1 . 5465 2 0 1 6 59 . 746

1 .5389+ 5 -3 4 3 60.073

1 .5389+ 1 5 0 60.073

1 . 5329M 1

1

-1 3 5 60 . 332

1 . 5329M -2 1 6 60 . 332

1 .5247 4 5 3 2 60 . 690

1 .5148M 5 1 5 1 61.128

1 .5148M 7 1 0 61 . 128

1 .5121M 3 -4 2 5 61 . 249

1 . 5121M 5 0 4 61 . 249

1 . 4944M 2 1 3 5 62 . 056

1.4944M 2 5 0 62.056

1 .4823M IL -6 3 1 62.622

1 . 4823M -2 5 1 62.622

1 . 4704+ 8 3 4 3 63 . 185

1 . 4704+ -1 5 2 63 . 185

1 .4558 IL 1 5 2 63.893

1 .4448+ 2 5 4 0 64.436

1 .4448+ 2 1 6 64.436

1 . 4408 3 6 3 1 64.639

1 . 4290 1 1 2 6 65 .235

1 .4121M IL 5 4 1 66. 119

1 .4121M 2 5 2 66. 119

1 .3973M IL 7 1 2 66.909

71 oZ

1i 1.3939M IL 0 5 3 67 .095 1.3939M 6 2 3 67.095

1 .3878 3 3 0 6 67.426

1 .3742 2 1 5 3 68. 185 1.3628 3 3 3 5 68.839

40
Cesium Zirconium Phosphate, CsZr2(P04)3

Synonyms

Cesium zirconium orthophosphate

Cesium dizirconium tris (phosphate)

CAS registry no. 19527-88-9

Sample

The sample was prepared from a mixture of

(NH4)2HP04, CS2CO3 and Zr02 in molar ratios

of 6:1:4. The mixture was heated for 2 hours

at 500 °C, reground, and heated for 2 hours

at 1000 °C. It was reground; a small amount

of CS2CO3 was added, and the mixture was heated at 900 °C for 16 hours.

Color

Colorless

Structure

Rhombohedral , R3c (167), (Matkovic et al.,

1968) .

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.5807(3) A

c = 24.9654(13)

c/a - 2.9095

V = 1591.90 A^

Density (calc) = 3.757 g/cm^

Figure of merit

F30 = 157.5(0.0054,35)

Additional pattern

Roy et al. (1982)

References

Matkovic, B., Prodic, B., and Sljukic, M. (1968). Bull. Soc. Chim. Fr., 1777.

Roy, R., Vance, E. R., and Alamo, J. (1982). Mater. Res. Bull. 17, 585.

CuKa X = 1.540598 A; temp. 26±1 °C

1 o Internal standards W, a = 3.16524 A Fluorophlogopite , SRM 675

d(A) I hk£ 2e(°) a = ±2

6 390 IL 0 1 2 13 848

4 781 1 1 0 4 18 544

0 0 1 / i 1 i U zU A00ft J

1 A

1

1 13 J / U U D z 1 J JO

0 0 IH 1 i ZO

3 562 7 2 0 2 24 980

3 193 5 0 2 4 27 924

/

1 C\C\ 11 i 09 Q zV Q Q Q ov y

9 0 / DO 1i n\j u

1

i p0

9 1 J 1 UDD

0z. z9 Z9 1

1 jZ n^^ U 9 J z

2 7400 8 1 2 2 32 655

2 5604 IL 2 1 4 35 017

9 H 1 00 Z J J u nu JD ZHZ 9 A 9

9 9Z i 9z

cJ

9JOA DoD

9 joy 9ftQ 9Z D 9z uQ09 9 A 1 7

2 3669 IL 1 0 10 37 985

2 3291 2 1 1 9 38 626

0 1 T IXt 9z i 7 An oD J

0 1 AS^ 000 z9 n A9HZ HR^ Uo J

9 1 Z OH zu 9J nu 0

AHZ9 HA 9AjD

2 0877 6 1 2 8 43 304

2 0800 6 0 0 12 43 473

9 n ^ /i 7 111

11 QJ

1i A /. HH n 9 c 9z U J

1 T 0J 1 z HH Q 9

1i Q 71;, y J / J

1 T 1 J

/. A A 9 /. 9

1 9069 27 2 2 6 47 650

1 8721 8 1 1 12 48 593

11 oDJO 7 9Z 1 1 u 'to /DO

11 7 ft/i 9 / oHZ 9Z i 7/ c 1 3 i 1 J'*

11 7 '5 / 0 JO 1 T

i L 1 9z

1 1 1 i r 1 J 1 7 /. 9 /hZ

1 7 9 A n 0J A

U 1 9 jZ 7 /. 0 /'to

1 7196 6 3 1 8 53 224

1 6971 IL 2 2 9 53 989

1 6890 IL 2 3 2 54 266

1 6453 1 3 2 4 55 831

1 6216 14 4 1 0 56 721

1 6077 6 2 0 14 57 258

1 5965 6 0 4 8 57 698

1 5930 16 3 0 12 57 836

1 5851 2 2 1 13 58 151

1 5521 IL 1 1 15 59 511

1 5384 IL 3 2 7 60. 094

1 5262 IL 3 1 11 60 627

1 5110 14 4 1 6 61. 300

1 5056 10 1 2 14 61. 543

41
Cesium Zirconium Phosphate, CsZr2(P04)3 - (conti nued)

d(A) , rel

a = ±2

2e(°)

1 4935 4 2 2 12 62 099

1 4901 2 4 0 10 62 256

1 4765 IL 5 0 2 62 895

1 4459 IL 0 5 4 64 384

1 4304 4 3 3 0 65 167

1 4097 IL 3 3 3 66 242

1 3525M 4 3 3 6 69 434

1 3525M 4 2 5 69 434

1 3487 6 3 1 14 69 662

1 3419 IL 5 0 8 70 066

1 3327 IL 5 1 1 70 619

1 3269 IL 1 5 2 70 977

1 3199 2 1 1 18 71 407

1 3148 IL 2 2 15 71 730

1 3051 1 5 1 4 72 346

1 3017 IL 1 2 17 72 566

1 2862 IL 0 4 14 73 583

1 2789 4 4 1 12 74 073

1 2751 2 3 2 13 74 330

1 2501 IL 5 1 7 76 080

1 2385 2 6 0 0 76 920

1 2322 5 2 3 14 77 385

1 2273 2 1 5 8 77 750

1 2100 IL 3 0 18 79 081

1 1899M 2 2 1 19 80 683

1 1899M 5 2 0 80 683

1 1870M 3 6 0 6 80 921

1 1870M 3 4 5 80 921

1 1833 2 2 0 20 81 233

1 1784M 2 3 3 12 81 641

1 1784M 5 2 3 81 641

1 1648 IL 2 2 18 82 800

1 1507M IL 1 5 11 84 044

1 1507M 3 2 16 84 044

1 1440 6 5 2 6 84 648

1 1377 2 3 4 8 85 226

1 1032 IL 4 2 14 88 572

1 0972 IL 4 3 10 89 182

1 0761M IL 0 5 16 91 424

1 0761M 3 4 1

91 424

1 0724 1 4 4 0 91 823

1 0677 3 3 1 20 92 347

1 0642 2 • 6 0 12 92 746

1 0540 IL 4 1 18 93 915

1 0439 IL 2 4 16 95 104

1 0387 1 4 4 6 95 732

1 0361 2 0 4 20 96 056

1 0329 2 5 2 12 96 449

1 0295 IL 6 2 1 96 869

1 0166 IL 6 2 4 98 523

1 0143 IL 5 1 16 98 834

1 0071 2 2 3 20 99 787

1 0052 2 0 7 8 100 054

42
Chromium Tungsten Oxide, CrW04

Synonym

Chromium tungstate

CAS registry no. 56729-81-8

Sample

The sample was prepared from Cr203 and

WO3 . The constituent oxides in a 1:2 molar ratio were blended by grinding in an agate mortar under acetone. The powders

were heated in a tungsten metal tray in a controlled atmosphere furnace. Temperatures

and partial pressures of oxygen were chosen

from the work of Trumm (1979). The following

heat treatments were satisfactory:

800 °C for 8 hours, at partial oxygen

pressure 10~^° atm; 1000 °C for 8 hours, at partial oxygen

pressure 10"^*' atm; 1300 °C for 8 hours, at partial oxygen

pressure 10"^'^ atm.

Traces of Cr203 and W metal were present as extra phases.

Color

Very dark greenish blue

Structure

Monoclinic, C2/m (12), distorted rutile type,

isostructural with AIWO4 . The structure was determined by Vlasse et al. (1976).

Crystallographic constants of this sample

a = 9.2708(6) A

b = 5.8282(3)

c = 4.6445(3)

P = 91.926(5)°

a/b = 1.5907

c/b = 0.7969

V = 250.81 a3

Density (calc) - 7.941 g/cm^

Figure of merit

F30 = 78.9(0.0093,41)

Additional patterns

PDF card 29-461 (Doumerc et al., 1975) Trumm (1979)

References

Doumerc, J. -P., Pouchard, M. , and HagenmuUer,

P. (1975). C. R. Seances Acad. Sci. Ser. C 280 , 1397.

Trumm, A. (1979). Neues Jahrb. Mineral.

Monatsh. , 267.

Vlasse, M. , Doumerc, J. -P., Peshev, P.,

Chaminade, J. -P., and Pouchard, M. (1976).

Rev. Chim. Miner. 13, 451.

0 CuKa, \

1 = 1.540598 A; temp . 26±1 °C Internal standard Si , SRM 640a

d(A)

jrel hk£ 2e(°)

a = ±3

4.934 2 1 1 0 17 .964

4 . 637M 64 0 0 1 19 . 124

4 . 637M 2 0 0 19 . 124 3.412 3 -1 1 1 26.099

3.336 72 -2 0 1 26.698

3 . 225 66 2 0 1 27 . 635

2 . 915 12 0 2 0 30 . 647

2 . 730 2 3 1 0 32 . 776

2.467M 100 0 2 1 36.383

2.467M 2 2 0 36.383

2 . 321 26 0 0 2 38.771

2.316 24 4 0 0 38 . 860

2 . 1949 26 -2 2 1 41 .091

2. 1623 2 2 2 1 41.740

2. 1029 5 -2 0 2 42.975

2 . 1014 3 -4 0 1 43 . 007

2 . 0856 IL 1 1 2 43 . 35

1

2 . 0468 15 2 0 2 44. 215

1 .9018 3 1 3 0 47.788

1.8151 11 0 2 2 50.223

1 .8140 10 4 2 0 50 . 257

1 . 7945 1 -3 1 2 50 . 840

1 . 7638 2 -1 3 1 51.791

1 .7552 1 1 3 1 52.064

1 .7425 IL 3 1 2 52.472

1 . 7052 38 -2 2 2 53.710

1 . 6749M 39 2 2 2 54. 764

1 . 6749M 4 2 1 54. 764

1 .6679M 26 -5 1 1 55.010

1 .6679M -4 0 2 55.010

1 . 6445 1 3 3 0 55.861

1 . 6332 IL 5 1 1 56.281

1 .6125 12 4 0 2 57 . 071

1 .5591 2 -3 3 1 59.217

1 .5474 3 0 0 3 59.709

1 .5441 3 6 0 0 59.851

1 .5414 2 3 3 1 59 .967

1 . 4828 7 -2 0 3 62.598

1 .4801 7 -6 0 1 62.724

1 . 4759 3 -1 3 2 62.923

1.4657 1 1 3 2 63.411

1.4570 8 0 4 0 63.833

1 .4532 10 2 0 3 64.022

1 .4506 8 6 0 1 64. 150

1 .4475 6 -4 2 2 64.301

43
Chromium Tungsten Oxide, CrW04 - (continued)

o d(A)

, re 1 I a = ±3

hk£ 2e(°)

1 . 4109 2 4 2 2 66. 179

1 . 3902M 4 0 4 1 67 . 298

1.3902M 2 4 0 67.298

1.3666 15 0 2 3 68.620

1 . 3644 15 6 2 0 68. 748

1 .3532 IL -3 3 2 69.396

1 .3410 1 5 3 0 70. 120 1.3354 6 -2 4 1 70.457

1 . 3278 7 2 4 1 70.921

1 . 3215 2 -2 2 3 71 .307

1 .3199 2 -6 2 1 71 .410

1 . 3069 3 -4 0 3 72.232

1 .3004 4 2 2 3 72.648

1.2987 5 6 2 1 72.760

1 . 2799 IL 5 3 1 74.006

1 . 2665 1 6 0 2 74.918

1 .2338 6 0 4 2 77.267

1 .2045 IL -1 3 3 79 .515

1 . 1978 1 -2 4 2 80.049

1 . 1960 1 1 3 3 80. 188

1 . 1925 7 -4 2 3 80.477

1 . 1869M 3 2 4 2 80.929

1 . 1869M 4 4 1 80.929

1 . 1737 IL -5 3 2 82.034

1 . 1618 7 4 2 3 83.061

1 . 1583 6 8 0 0 83.365

1 . 1565 2 1 5 0 83.530

1 . 1490 IL 5 3 2 84 . 194

1 . 1460 IL 5 1 3 84.469

1 . 1439 IL -7 1 2 84.659

1 . 1372 1 -3 3 3 85.278

1 . 1347 1 -2 0 4 85.505

1 . 1326 1 -8 0 1 85 . 703

1 . 1233 1 -1 5 1 86.589

1 . 1210 IL 1 5 1 86.814

1 . 1 169M 2 3 3 3 87.207

1 . 1 169M 2 0 4 87.207

1.1119 4 -6 0 3 87.696

1.0974 IL -4 4 2 89. 165

1 .0906 4 3 5 0 89.870

1.0810 3 4 4 2 90.886

44
Cobalt Telluride, CoTe

CAS registry no. 12017-13-9

Sample

The sample was donated by CERAC/PURE, Inc.,

Butler, Wise. The sample contained less

than 5% CoTe2 as a second phase.

Color

Very dark gray

Structure

Hexagonal, P63/mmc (194). Isostructural with

NiAs (Oftedal, 1927).

Crystallographic constants of this sample

a = 3.89276(15) A

c = 5.3746(3)

V ^ 70.533 a3

Density (calc) = 8.783 g/cm^

Figure of merit

F30 = 75.5(0.011,36)

Additional pattern

Oftedal (1927)

Reference

Oftedal, I. (1927). Z. Phys . Chem. (Leipzig)

128 , 135.

CuKa^ A = 1.540598 A; mean T = 26.4 °C Internal standard Si, SRM 640a

d(A) I^"^ hk£ 2e(°) a = ±3

3 369 2 1 0 0 26 436

2 856 100 1 0 1 31 295

2 688 10 0 0 2 33 310

2 101 45 1 0 2 43 007

1 9470 37 1 1 0 46 612

1 6082 16 2 0 1 57 239

1 5819 20 1 0 3 58 282

1 5768 18 1 1 2 58 486

1 4280 11 2 0 2 65 290

1 3433 4 0 0 4 69 981

1 2744 IL 2 1 0 74 376

1 2484 IL 1 0 4 76 197

1 2400 13 2 1 1 76 809

1 2278 7 2 0 3 77 718

1 1514 10 2 1 2 83 979

1 1236 6 3 0 0 86 561

1 1058 11 1 1 4 88 310

1 0384 5 2 1 3 95 775

1 0368 3 3 0 2 95 974

1 0240 3 1 0 5 97 564

9730 4 2 2 0 104 680

9246 2 2 1 4 112 841 9211 6 3 1 1 113 497

9149 2 2 2 2 114 692

9063 2 2 0 5 116 402

8957 2 0 0 6 118 624

8830 4 3 1 2 121 470

8657 4 1 0 6 125 699

8621 7 3 0 4 126 634

8327 2 4 0 1 135 370

8290 4 3 1 3 136 631

45
Copper Chromium Oxide, CuCr204

Synonym

Copper chromite

CAS registry no. 12018-10-9

Sample

The sample was prepared by blending

stoichiometric amounts of CuO and Cr203

and heating in a platinum boat in pure

oxygen for extended periods at temperatures

as high as 975 °C, with periodic grinding.

Color

Black

Structure

Tetragonal, I42d (122). Distorted normal

spinel. The structure was determined by

Prince (1957).

Crystallographic constants of this sample

a = 6.0336(3) A

c = 7.7824(6)

c/a = 1.2898

V = 283.31 A^

Density (calc) = 5.428 g/cm^

Figure of merit

F30 = 52.1(0.011,53)

Polymorphism

A cubic form was found at 580 °C by

Ust'yantsev and Mar'evich (1973).

Additional pattern

PDF card 26-508 (Ust'yantsev and Mar'evich,

1973)

References

Prince, E. (1957). Acta Crystallogr. 10, 554.

Ust'yantsev, V. M. and Mar'evich, V. P. (1973). Inorg. Mater. (Engl. Trans.) 9, 306.

CuKa A = 1.540598 A; mean T = 24.8 °C

^ o Internal standard W, a = 3.16524 A

d(A) I hk£ 2e(°) a = ±2

H / DO 1 1 1 1

1i U

1 1 Q1 0 DUO

3 018 23 2 0 0 29 573

2 877 34 ] 1 2 31 065

9 1 uu 9Z

1 1 DO 1 An

0z A7D / 9Z U

9 970 / AO 9

z

11 u

9 9 7 AQOy 9J 2 134 20 2 2 0 42 318

1 9463M 8 3 0 1 46 629

i V HO Jil u

A HO A9Q

11 0 / VJ 1

1 9 . z

1 J Ho D J U

1

/ 1 jD i J

Q

J) 1i z H-Z 0

1 6361 39 3 2 1 56 174

1 5897 9 3 0 3 57 967

11 Z 0A n nu D 1 Zl9 HZ 11

1

J. H J / Oil 1i i 04 7 Q 7

i A "5 7 AM Z9 9z

A D't 7Q7

1 4066M 2 4 0 2 66 410

1 4066M 3 2 3 66 410

1I

-3 A 0z D 7 D J /

1i

-3 3 -3-J z9 7n H Z Z

i 9 7 A R M A 9Z

9Z jDo

1 2745M 4 1 3 74 368

1 2407 3 1 1 6 76 757

1 9 Q 1 A Z J iU /, U

cJ

7 7 A^

7 RID

1

1i Q9n y zU cJ/, U oU J 1

1

1 'i 9n i. cJ

1 9z

P / 0 J

1 1087 6 4 2 4 88 022

1 0941 7 4 3 3 89 507

I n 7 0 ^ U / ZD i 1 D oU J

1 n ^ 0 Udd2 /

/. 1 rD 9z c; 1 A

1 0280 3 2 1 7 97 061

1 0056 1 6 0 0 99 987

1 0001 2 5 3 2 100 752

9840 3 6 1 1 103 044

9731 2 3 0 7 104 665

9536 4 4 3 5 107 766

9351 2 4 2 6 110 930

9260M 3 3 2 7 112 584

9260M 2 0 8 112 584

8933 2 6 0 4 119 145

8856 4 5 4 3 120 863

8741 1 5 1 6 123 588

46
Copper Iron Oxide, CuFe204

Synonym

Copper ferrite 0 = 26.1 ° CuKa^ A = 1 .540598 A; mean T C CAS registry no. Internal standard Ag, a = A 08651 A 12018-79-0

Sample d(A) J rel hk£ 2e(°)

The sample was prepared by blending stoichio- a ~ ±2 metric amounts of CuO and Fe203 and heating in

a flowing atmosphere of pure oxygen for 4 1 /

1i 011 18

.

319

extended periods at temperatures as high as 2 985 11 1 9 29

.

908

975 °C, with periodic grinding. The sample 2 923 2 0

n 30. 559

contained traces of CuO and an unidentified 2 582 0 J 34. 719 phase

.

2 502 100 2 1 I 35

.

862

Color 2 420 14 2 0 z 37. 122 Olive black 2 1580 1

1

0 0 4 41

.

826

2 0667 22 2 2 0 43. 768 Structure 1 9345 1 2 1 3 46

.

930

Tetragonal, I4i/amd (141). It is a 1 7360 5 2 0 4 52. 683

tetragonally distorted inverse spinel. The structure was determined by Prince and 1 6990 10 3 1 2 53. 923

Treuting (1956). The "a" dimension given 1 6550 12 1 n0 5 55. 477 by Prince and Treuting was divided by 1 6134 11 3 0 3 57. 035

J^ to make it conform to the body-centered 1 5932 24 3 2 1 57. 829

space group. i zz 40 2 2 4 A9 IRQ 1 JO Crystallographic constants of this sample 1 4611 16 4 0 0 63. 632

o

a - 5

.

ahH^ ) A

1 4119 1 3 2 3 66. 127

c = 8.6304(10) 1 3583 2 1 1 6 69. 099

1 3118 2 3 3 2 71

.

920

c/a = 1 .4767 1 3067 2 4 2 0 72. 241

Z = 4

1 2922 5 3 0 5 73. 184 V = 294.79 1 2900 4 2 0 6 73. 331 Density (calc) = 5.390 g/ cm"^ 1 2713 9 4 1 3 74. 586

1 2507 4 4 2 2 76. 037

Figure of merit 1 2098 5 4 0 4 79. 094

F25 = 86.2(0.0097,30)

Polymorphism

A cubic phase has also been reported by

Vervey and Heilman (1947).

Additional pattern

PDF card 6-545 (Weil et al., 1950)

References

Weil, L. , Bertaut, F., and Bochirol, L. (1950). J. Phys. Rad. H, 208.

Prince, E. and Treuting, R. G. (1956). Acta Crystallogr. 9, 1025.

Vervey, E. J. W. and Heilman, E. L. (1947).

J. Chem. Phys. 15, 174.

47
Copper Mercury Iodide, p- Cu2Hgl4

Synonym

Cuprous mercuric tetraiodide

CAS registry no. 55945-38-5

Sample

The sample was obtained from City Chemical

Corp., New York, N.Y.

Color

Vivid red

Structure

Tetragonal, I42m (121). Pseudocubic, isostructural with Ag2Hgl4 (Ketelaar, 1931).

The structure of Cu2Hgl4 was determined by

Hahn et al. (1955).

Crystallographic constants of this sample

a = 6.07802(15) A

c = 12.2540(4)

c/a = 2.0161

Z = 2 o V = 452.69 A^ Density (calc) = 6.128 g/cm'^

Figure of merit

F30 = 113.4(0.0070,38)

Polymorphism

p-Cu2Hgl4 transforms to a cubic form above

90 °C (Ketelaar, 1934)

Additional patterns

PDF card 18-450 (Hahn et al., 1955)

Ketelaar (1931)

References

Hahn, H. , Frank, G., and Klinger, W. (1955).

Z. Anorg. Allg. Chem. 279, 271.

Ketelaar, J. A. A. (1931). Z. Kristallogr .

80, 190.

Ketelaar, J. A. A. (1934). Z. Kristallogr.,

87, 440.

0 CuKa A = 1.540598 A; mean T = 26±2 °C Internal standard 3i , SRM 640a

0 U V." J ,rel

1 hk£ 2e(°) a = ±2

6. 118 IL 0 0 2 14.466

5.446 12 1 0 1 16.263

4.299 2 1 1 0 20.645

3.517 100 1 1 2 25 . 302

3.389 14 1 0 3 26.275

3.063 3 0 0 4 29. 133 3.038 4 2 0 0 29.375

2. 722 IL 2 0 2 32.876

2.654 17 2 1 I 33.751

2.4945 1 1 1 4 35.974

2.2725 7 1 0 5 39.628

2.2623 7 2 1 3 39.813

2. 1572 62 2 0 4 41 .842 2.0418 IL 0 0 44 328

2.0274 IL 2 2 2 44.661

1 .9985 6 3 0 1 45.341

1.8445 18 1 1 6 49.369

1.8338 30 3 ] 2 49.675

1 .8200 4 2 1 5 50 . 079

1.7591 2 2 2 4 51 .939

1 .6820 IL 1 0 7 54.513

1.6698 IL 3 2 1 54.945

1 .6280 IL 3 1 4 56.478

1.5580 5 3 2 3 59 261

1.5317 3 0 0 8 60.387

1 .5194 5 4 0 0 60.924

1 .4801 2 2 2 6 62.725

1 .4716 2 2 1 7 63.125

1.4635 IL 4 1 I 63.516

1 .3996 10 3 1 6 66.783

1.3889 8 3 2 5 67.370

1.3863 3 4 1 3 67.512

1.3681 1 2 0 8 68.530

1 .3610 IL 4 0 4 \JO . 7 H

1.3286 IL 1 0 9 70.868

1 . 3245 2 3 0 7 71 . 121

1 .2630 2 4 1 5 75. 165 1.2472 6 2 2 8 76.287

1.2422 9 4 2 4 76.650

1.2173 1 2 1 n

y 70 tr 1 Q

1 .2141 1 3 2 7 78.758

1 .2096 1 4 3 1 79.107

1 .1783 2 1 1 10 81.646

1 . 1728 3 3 3 6 82. 112

1 . 1700 5 5 1 2 82.352

48
Copper Mercury Iodide, p-Cu2Hgl4 - (continued)

o

_ rel

1 o ~ ±2

1. 1650 2 4 J

o0 82.784

1 . 1300 1 3 0 9 85.951

1 . 1275 1 4 1 7 86. 190

1 . 1239 2 5

o/ 1 86.530

1 .0960 IL 1 0 1

1

89.313

1 .0889 1 4 3 5 90.046

1 .0788 2 4 0 8 91 . 130

1 . 0746 1 4 4 0 91 .589 1.0463 IL 3

Qa 94.816

1 .0333 3 3

1i iu 96.402

1 .0308 2 2 1 1

1

96.714

1 .0296 2 5 1 6 96.865

1 .0275 2 5 3 2 97. 119

1 .0167 IL 4 Z

Q 98.521

1 .0141 IL 4 98.857

1 .0001 IL 4 i Q 100.748

.9985 IL 4 3 7 100.972

.9959 IL 6 1 1 101 . 328

.9706 1 6 i 105 .059 .9681 1 2 U

1 o1 z 105.447

.9619 1 6

AU 106.418

.9610 IL 6 2 0 106.565

.9486 IL 5 2 7 108.595

.9313 1 3

Q

1 u 111 .617 .9294 1 3 2 11 111.946

.9285 1 5 3 6 112. 118 .9254 1 6 1 5 112.696

.9246 IL 5 4 3 112.836

Q T n 9 1 2 10 111; ^ Q

1

.9068 IL 4 3 9 116.302

.9036 IL 6 3 1 116.966

.9018 IL 3 1 12 117.343

49
Europium Oxide, EU2O3

Synonym

Europium sesquioxide

CAS registry no. 1308-96-9

Sample

The sample was obtained from American Potash

and Chemical Corp., Research Division, West

Chicago, IL. It was heated at 1000 °C for

5 days

.

Color

Colorless

Structure

Cubic, Ia3 (206). Its structure was determined by Zachariasen (1928).

Crystallographic constants of this sample

a = 10.8683(2) A

Z - 16 V = 1283.76 a3

Density (calc) = 7.283 g/cm^

Figure of merit

F30 = 125.6 (0.0075,32)

Polymorphism

There is a monoclinic modification formed

above 1075 °C (Roth and Schneider, 1960)

and a hexagonal form was found at 2330 °C (Foex and Traverse, 1966).

Additional patterns

PDF card 12-393 (General Electric, ANP

Dept., Cincinnati, OH) PDF card 32-380 (Ferguson, I. and Hughes, UK Atomic Energy Authority. See UKAEA

Report ND-R-150 (S) . Gives a as 1/2 of

value used here.)

References

Foex, M. and Traverse, J. P. (1966). Bull.

Soc. Fr. Mineral. Cristallogr. 89, 184.

Roth, R. S. and Schneider, S. J. (1960). J. Res. Nat. Bur. Stand. 64A, 309.

Zachariasen, W. H. (1928). Skr. Nor. Vidensk.

Akad., Kl. 1: Mat-Naturvidensk . Kl . 1, 4.

0 CuKa^ A = 1.540598 A; temp. 26±1 °C

T n 1" r*n 3 1 W , a 3. 16524

c

0 d(A)

ij jrei

hkJ? 2e(°) a = ±1

4 . 436 8 2 1 1 19 . 998

3.138 100 2 2 2 28 . 422

2 . 904 2 3 2 1 30 . 760

2. 718 34 4 0 0 32.927

2.5624 6 4 1 1 34.990

2 . 4314 I 4 2 0 36 . 940

2.3174 5 3 3 2 38 . 829

2.2193 IL 4 2 2 40 . 619

2.1319 8 4 3 1 42.363

1.9844 3 5 2 1 45.683

1.9215 43 4 4 0 47 . 267

1 . 8641 2 4 3 3 48 . 815

1.8116 IL 6 0 0 50 . 326

1.7632 6 6 1 1 51.809

1 .7186 1 6 2 0 53.257

1.6772 4 5 4 1 54 . 682

1 . 6387 31 6 2 2 56 .078

1 . 6027 6 6 3 1 57 . 453

1.5688 6 4 4 4 58.813

1 .5372 2 5 4 3 60. 144

1 . 5072 6 4 0 61.473

1 . 4794 3 7 2 1 62 . 756

1 . 4527 I 5 4 2 64 . 045

1.3803 2 6 5 1 67.844

1.3586 4 8 0 0 69 .081

1 . 3379 3 7 4 1 70 . 303

1.3181 2 8 2 0 71.521

1 . 2990 2 5 3 72.737

1.2809 1 6 6 0 73.939

1.2636 3 8 3 1 75. 124

1 2468 8 6 2 76.312

1 . 2152 5 8 4 0 78.678

1 . 2002 IL 8 3 3 79 . 855 1.1860 IL 8 4 9 81.010

1. 1722 2 7 6 1 82. 164

1 . 1457 2 8 5 1 84.498

1.1211 2 9 3 2 86.801

1 . 1093 5 8 4 4 87.963

1.0981 2 9 4 1 89.095

1 .0870 1 8 6 0 90.255

50
Europium Oxide, EU2 O3 (conti nued)

o d(A)

rel

I hkSL 2d(°) a = ±1

] .0763 IL 10 1 1 91.403

1 .0658 3 10 2 0 92.559

1 .0558 IL 9 4 3 93.708

1 .0458 5 10 2 2 94.877

1 .0363 2 10 3 1 96.025

1 .0179 2 8 7 1 98.355

1 .0091 2 10 4 0 99.519

1 .0006 2 9 6 1 100.679

.9922 2 10 4 2 101 .863 .9840 2 8 7 3 103.035

.9683 2 10 5 1 105.413

.9605 2 8 8 0 106.631

.9460 IL 8 8

1 109.028

.9389 1 11 3 2 110.258

.9319 IL 10 6 0 111 .508

.9251 1 11 4 1 112. 744 .9184 3 10 6 2 114.006

.9120 IL 9 6 5 115.271

.9056 2 12 0 0 116.560

.8995 2 9 8 1 117.817

.8933 1 12 2 0 119. 143 .8873 1 10 7 1 120.487

.8815 2 12 2 2 121 .824

.8757 1 12 3 1 123.201

.8646 2 11 6 1 125 .990

.8592 2 12 4 0 127.408

.8539 1 12 3 3 128.860

.8486 3 10 8 0 130.381

.8435 2 11 6 3 131 .901 .8384 2 10 8 2 133.482

.8336 1 12 5 1 135.053
Europium Oxide, EU2O3

Synonym

Europium sesquioxide

CAS registry no. 1308-96-9

Sample

The sample was obtained from American Potash

and Chemical Corp., Research Division, West

Chicago, IL. It was heated to 1250 °C for

3 hours to convert it to the monoclinic

form.

Color

Colorless

Structure

Monoclinic, Roth and Schneider (1960). Its aspect C"''/"' was assumed to be the same as that of Sm203 determined by Douglass and

Staritzky (1956).

Crystallographic constants of this sample

a = 14.1126(12) A

b =

c' = 3.6025(3)

8.8089(4)

100.050(6)°

a/b = 3.9174

c/b = 2.4452

Z = 6 V = 440.98 A^

Density (calc) = 7.951 g/cm^

Figure of merit

F30 = 62. 1 (0.0070,69)

Polymorphism

There is a cubic form existing below 1050 °C,

Roth and Schneider (1960). A hexagonal form

was found at 2330 °C, Foex and Traverse

(1966) .

Additional pattern

PDF card 12-384 (General Electric ANP Dept.,

Cincinnati, OH)

References

Douglass, R. M. and Staritzky, E. (1956).

Anal. Chem. 28, 552.

Foex, M. and Traverse, J. P. (1966). Bull.

Soc. Fr. Mineral Crystallogr. 89, 184.

Roth, R. S. and Schneider, S. J. (1960). J. Res. Natl. Bur. Stand. 64A, 309.

CuKa A = 1.540598 A; mean T = 25.3 °C

^ o Internal standard W, a = 3.16524 A

d(A)

- rel

a = ±3

hk£ 2e(°)

5 .953 4 -2 0 1 14 .869

5 .014 IL 2 0 1 17 .676

4 .003 8 -2 0 2 22 . 192

3 .419 18 2 0 2 26 .042

3 . 187 83 1 1 1 27 .971

3 .046 85 4 0 1 29 .297

2 .977 87 -4 0 2 29 .996

2 .891 58 0 0 3 30 .906

2 .844 89 3 1 0 31 .432

2 .778 100 -1 1 2 32 . 196

2 662 4 1 1 2 33 642

2 5179 2 2 0 3 35 628

2 .3162 16 6 0 0 38 850

2 2756 6 -1 1 3 39 .571

2 2072 26 -5 1 1 40 .852

2 1800M 9 -2 0 4 41 .385

2 1800M 1 1 3 41 .385

2 1459M 56 6 0 1 42 072

2 1459M -3 1 3 42 072

2 0662 1 5 1 1 43 778

2 0534 IL 4 0 3 44 064

1 9739 2 2 0 4 45 940

1 9267 56 3 1 3 47 132

1 8804 4 -5 1 3 48 366

1 8614 4 5 1 2 48 892

1 8213 3 -3 1 4 50 042

1 8014 32 0 2 0 50 632

1 7635M 17 0 2 1 51 799

1 7635M -8 0 1 51 799

1 7425 IL -6 0 4 52 472

1 7061 39 -7 1 2 53 679

1 6729 19 -4 0 5 54 834

1 6635M 17 -5 1 4 55 168

1 6635M 0 2 2 55 168

1 6563 34 7 1 1 55 429

1 6443 7 5 1 3 55 868

1 6410 7 3 1 4 55 993

1 6178 4 2 0 5 56 866

1 5939 4 2 2 2 57 801

1 5809 18 -1 1 5 58 322

1 5569 6 -3 1 5 59 308

1 5504 23 4 2 1 59. 580

1 5412 24 -4 2 2 59. 975

1 5289 18 0 2 3 60. 507

1 5232M 14 8 0 2 60. 758

52
Europium Oxide, EU2O3 - (continued)

0 d(A) a ^ ±3

2e(°)

1 .5232M -2 2 3 60.758

1 .4882 9 -8 0 4 62.345

1 . 4673 3 -2 0 6 63 . 332

1 .4648M 4 2 2 3 63.456

1 .4648M -5 1 5 63.456

1 .4459 6 0 0 6 64.384

1 .4218 5 6 2 0 65.610

1 . 3961M 3 -6 2 2 66 . 975

1 .3961M -10 0 2 66.975

1 .3796 3 6 2 1 67.881

1 .3683 3 2 0 6 68.519

1 .3635 4 -9 1 3 68.797

1 . 3488 3 -3 1 6 69 . 654

1.3362 8 10 0 1 70.406

1 .3341M 7 -7 1 5 70.535

1 .3341M -6 2 3 70.535

1 .3308 4 2 2 4 70. 739

1 .3156 2 1 1 6 71 . 681

1.2652 8 7 1 4 75.008

1.2600 10 -8 2 1 75.373

1.2574 8 -2 2 5 75 .558

1 .2405 6 4 2 4 76. 770

1 . 2363 7 3 1 6 77 . 081

1 .2258 10 -4 2 5 77 .862 1.2083 8 -11 1 1 79.215

1 .2044 4 -8 2 3 79.521

1 . 1967M 1 -9 1 5 80. 136

1 . 1967M 1 3 0 80 . 136

1 . 1829 5 1 3 1 81.266

1 . 1628+ 9 8 2 2 82.977

1.1628+ -6 2 5 82.977

1. 1579M 7 12 0 0 83.402

1 . 1579M - 1 3 2 83 . 402

1.1474 8 -8 2 4 84.345

1.1401 3 6 0 6 85.005

1.1378 3 -2 2 6 85.223

1 . 1351 1 -3 3 2 85 .471

1 . 1327 1 8 0 5 85.694

1.1274 6 0 2 6 86. 196

1. 1258 7 -11 1 4 86.351

1 . 1091 3 9 1 4 87 . 980

1.1040M 10 11 1 2 88.492

1 . 1040M -8 0 7 88.492

1 . 1010 6 -2 0 8 88.798

1.0951 4 -3 3 3 89.398

1 .0903 3 -4 0 8 89.902

1 .0871 3 10 0 4 90.243

53
Hafnium Oxide, HfO

CAS registry no. 12055-23-1

Sample

A commercial sample was heated at 1450 °C for 96 hours, then at 1550 °C for 48 hours.

Color

Colorless

Structure

Monoclinic, P2i/a (14), isostructural with

ZrOa (Geller and Corenzwit, 1953). The structure of Zr02 was redetermined by

McCullough and Trueblood (1959) and Adams

and Rogers (1959) .

Crystallographic constants of this sample

a = 5.2851(2) A

b = 5.1819(2)

c = 5. 1157(2)

P = 99.259(3)°

a/b = 1.0199 . c/b = 0.9872

Z = 4 o V = 138.28 a3

Density (calc) = 10. Ill g/cm^

Figure of merit

F30 = 129.1(0.0061,38)

Polymorphism

Hafnium oxide has been reported to exist in

3 other polymorphic phases. Curtis, Doney,

and Johnson (1954) report a tetragonal phase.

Ruh et al. (1968) and Ruh and Corfield (1970)

report inversion temperatures of the tetragonal

to the cubic phase. Bocquillon et al. (1968)

report an orthorhombic phase.

Additional pattern

PDF card 6-318 (Geller and Corenzwit, 1953)

References

Adams, J. and Rogers, M. D. (1959). Acta Crystallogr. 12, 951.

Bocquillon, G., Susse, C, and Vodar, B. (1968). Rev. Int. Hautes Temp. Refract.

5, 247.

Curtis, C. E., Doney, L. M., and Johnson,

J. R. (1954). J. Am. Ceram. Soc. 37, 458.

Geller, S. and Corenzwit, E. (1953). Anal.

^ Chem. 25, 1774.

McCullough, J. D. and Trueblood, K. N. (1959). Acta Crystallogr. 12, 507.

Ruh, R. and Corfield, P. W. R. (1970). J. Am. Ceram. Soc. 53, No. 3, 126.

Ruh, R., Garrett, H. J., Domagala, R. F., and

Tallan, N. M. (1968). J. Am. Ceram. Soc. 51_, No. 1, 23.

54

0 CuKa A = 1 .540598 A; mean T = 25 4 °C Internal standards Ag, 4.08651 A Fluorophlogopite , SRM 675

0 d(A)

jrel

hkje 2e(°) a = ±1

5.051 6 0 0 1 17.544

3.677 16 1 1 0 24. 185 3.616 12 0 I 24 . 597

3.147 100 -1 1 I 28 . 336

2 823 78 1 1 I 31 . 665

2.6080 25 2 0 0 34.358

2.5907 20 0 2 0 34.595

2 5244 23 0 0 2 35 . 534

2 4870 7 -2 0 1 36 . 086

2 3204 9 1 2 0 38 . 776

2.3050 1 0 2 1 39.046

2.2690 IL 0 1 2 39.691

2 . 2423 2 -2 ]^ 40 . 185 2.2010 15 -

1

1 2 40 . 97

1

2 . 1792 5 2 0 1 41 . 401

2. 1678 5 -

1

2 1 41 .628 2.0088 5 2 1 1 45.096

1 . 9803 7 -2 0 2 45 . 783

1 . 8494 3 -2 1 2 49 . 230

1 . 8379 18 2 2 0 49 . 559

1.8079 23 0 2 2 50.436

1.7936 12 -2 2 1 50.868

1.7727 6 -

1

2 2 51.513

12 2 0 2 54.461

1 . 6834M 0 0 3 54.461

1 .6673 1 2 2 1 55.032

1 .6483 13 3 1 0 55.722

1 643

1

10 -3 I \ 55 . 914

i . 0 9 0 3 I 56 . 246

9 0 1

•5~j 57 535

1 .6006+ -1 1 3 57.535

1.5833 7 -1 3 1 58.225

1 7 9 5 -2 2 2 58 635

1 . 0 J / u 9 1 3 I 60 155

11 ^ '^n A . J jUD 9 -2 0 0 60 433

1.5009 6 3 1 1 61 .759 1.4881 8 -3 1 2 62.350

1 A Aft 7 1

1

1

11 Q 63 265

2 3 2 0 64.484

11 . AAm H^W illM 3 2 3 0 64. 676

1 .4401M -3 2 1 64.676

1 . 4252 1 0 3 2 OD . 433

1 .4184 3 -2 3 1 65.784

1.4118M 9 2 2 2 66. 133

1 .4118M 0 2 3 66. 133

1 .4083 4 -1 3 2 66.318

1.3537 3 2 3 1 69.367

1.3414 1 3 2 1 70.094

1.3325 1 -3 2 2 70.634

1.3181M 4 1 2 3 71.520
Hafnium Oxide, Hf02 - (continued)

d(A) I hk£ 2e(°) a = ±1

1

.

3181M -2 2 3 71

.

520

1

.

3149 5 -4 0 1 71. 721

1

.

3041 1 4 0 0 72. 410

1

.

3017 2 -2 3 2 72. 565

1

.

2955 2 0 4 0 72. 967

1. 2927 1 3 1 2 73. 151

1

.

2795M 1 2 1 3 74 033

1 2795M -3 1 3 74. 033

1 2624 2 0 0 4 75 203

1 2574 4 1 4 0 75 560

1 2378 3 -1 1 4 76 967

1 2315 IL -1 4 1 77 437

1 2254 2 3 3 0 77 899

1 2230 2 -3 3 1 78 079

1 2162 1 4 0 1 78 599

1 2086 IL -4 1 2 79 188

1 2056+ 3 2 3 2 79 428

1 2056+ 0 3 3 79 428

1 1866 IL 3 2 2 80 953

1 1839 IL 4 1 1 81 179

1 1766 1 2 2 3 81 794

1 1727 3 -4 2 1 82 125

1 1651 IL 4 2 0 82 776

1 1613 3 3 3 1 83 108

1 1551 3 -3 3 2 83 653

1 1525 2 0 4 2 83 887

1 1458M 3 1 3 3 84 485

1 1458M -2 3 3 84 485

1 1432 3 -1 4 2 84 724

1 1348 2 0 2 4 85 498

1 1218 1 -4 0 3 86 736

1 .1136 IL 2 4 1 87 534

1 . 1085 2 1 4 2 88 036

1 . 1009 3 4 2 1 88 .804

1 .0970 3 3 1 3 89 .206

1 .0894 1 4 0 2 89 .992

1 .0854 3 -3 1 4 90 .423

1 .0771 1 1 2 4 91 .317

1 .0706 1 2 0 4 92 .023

1 .0492 2 2 3 3 94 .472

d(A) a = ±1

hk£ 2e(°)

1 .0407 1 4 3 0 95.490

1.0390 2 3 4 0 95.699

1 .0376 1 -3 4 1 95.868

1 . 0297 Z

/. ZQJ OA ft R 1 y 0

.

oj

L

1 .0267+ 3 2 4 2 97 .228

1 .0267+ 0 4 3 97 .228

1 .0256 1 -1 3 4 97.367

1 .0228 3 5 1 0 97.723

1 .0191 IL U

QJ

/. Q Q 1 Q ft y B . lyti 1.0153 2 0 5 1 98.701

1 .0098 2 0 0 5 99.423

1 .0091 1 -4 3 2 99.527

1 .0045 3 -5 1 2 100. 147

n n "7 o 1 T IL -z u

cD 1 U 1 .

I

.9943 2 4 3 1 101.556

.9895 2 2 2 4 102.247

.9778 IL -5 2 1 103.962

.9588M IL 4 0 3 106.909

A

U

cJ Z .9565 1 -2 5 1 107.278

.9466 2 1 1 5 108.921

.9409M 3 -4 3 3 109.903

.9409M 0 2 5 109.903

. y Joy Z Z

CJ

1

L

1 1 n 7 Q n .9337 3 -3 3 4 111.173

.9306 3 -2 2 5 111 . 727 .9297 3 3 4 2 111.898

.9245 2 -3 4 3 112.861

. 9228 2 -4 4 1 113. 187 .9189 1 4 4 0 113.914

.9182 IL -2 5 2 114.060

.8998 1 5 1 2 117.765

.8992 1 4 2 3 117.882

.8929M 2 3 2 4 119.242

.8929M 5 3 0 119.242

55
Iron Niobium Oxide, Fe(Nb03)2

Synonyms

Iron niobate

Ferrous niobate

CAS registry no. 12022-59-2

Sample

The sample was prepared according to the

paper by Turnock (1966). Stoichiometric

amounts of Fe203 and Nb205 were mixed and

heated in a platinum boat (presaturated with

Fe by heating a sample of FeNl)20e under the same conditions as in the synthesis). Two heatings in the 1130-1160 °C range in a controlled atmosphere with the partial

pressure of oxygen less than or equal to 10"^^ atm. The sample contains a trace

of Nb02.

Color

Black

Structure

Orthorhombic , Pcan (60). It has the columbite

structure, solved by Sturdivant (1930). The structure was qualitatively done by Brandt

(1943).

Crystallographic constants of this sample

a = 5.7350(3) A

b = 14.2688(7)

c = 5.0504(3)

a/b = 0.4019

c/b = 0.3539

V = 413.29 A^

Density (calc) = 5.427 g/cm^

Figure of merit

F30 = 49.3(0.0086,71)

Additional pattern

PDF card 31-644 (Husson, et al., 1977)

References

Brandt, K. (1943). Ark. Kemi Mineral. Geol.

17a , No. 15.

Husson, E., Repelin, Y. , Nguyen, Q. D., and

Brusset, H. (1977). Mater. Res. Bull. 12, 1199.

Sturdivant, J. H. (1930). Z. Kristallogr.

68, 239.

Turnock, A. C. (1966). J. Am. Ceram. Soc.

49, 177.

CuKa^ A = 1.540598 A; mean T = 26.8 °C Internal standard Si, SRM 640a

d(A) I hk£ 2e(°) a = ±2

7 14 4 0 2 0 12 394

5 319 1 1 1 0 16 . 655

3 661M 38 1 1 1 24 .290

3 661M 1 3 0 24 .290

3 567 5 0 4 0 24 . 944

2 965 100 1 3 1 30 . 118

2 868 1

2 0 0 31 . 164

2 662 1 2 2 0 33 .642

2 526 14 0 0 2 35 .510

2 495 14 2 0 1 35 972

2 379M 7 0 2 2 37 790

2 379M 0 6 0 37 790

2 354 IL 2 2 1 38 196

2 2302 4 0 3 2 40 411

2 2088 8 2 3 1 40 . 820

2 0790 10 1 3 2 43 . 495

2 0613 2 0 4 2 43 . 887

2 0438 2 2 4 1 44 283

1 9212 IL 1 7 0 47 274

1 8952M 8 2 0 2 47 964

1 8952M 3 1 0 47 964

1 8307M 8 2 2 2 49 765

1 8307M 2 6 0 49 765

1 7957M 2 1 5 2 50 805

1 7957M 1 7 1 50 805

1 7740M 14 3 1 1 51 471

1 7740M 3 3 0 51 471

1 7315 17 0 6 2 52 829

1 7211 22 2 6 1 53 175

1 6738M 2 2 4 2 54 801

1 6738M 3 3 1 54 801

1 6052 IL 1 1 3 57 355

1 5294M 14 1 3 3 60 485

1 5294M 1 7 2 60 485

1 5155M IL 3 1 2 61 101

1 5155M 3 5 1 61 101

1 4821 5 2 6 2 62 631

1 4625 12 1 9 1 63 563

1 4517M 18 2 0 3 64 094

1 4517M 3 3 2 64 094

1 4338 2 4 0 0 64 995

1 4271 IL 0 10 0 65. 337

1

4231 IL 2 2 3 65. 544

1 3946 1 3 7 0 67. 056

1 3792 5 4 0 1 67. 905

56
Iron Niobium Oxide, Fe(Nb03)2- (continued)

o d(A)

T-rel

I a = ±2hk£ 2e(°)

1.3445+ IL 2 4 3 69.907

1.3445+ 3 5 2 69.907

1 .3380 IL 2 9 1 70.299

1 .3072 1 1 9 2 72.210

1 .2864 IL 4 4 1 73.571

1 .2776 IL 2 10 0 74. 161 1.2659 IL 1 7 3 74.960

1.2626M 1 3 8 1 75. 191

1 .2626M 0 0 4 75. 191

1 .2422M IL 0 10 2 76.647

1 .2422M 4 1 2 76.647

1.2390 2 2 6 3 76.883

1 .2204+ 2 3 9 0 78.275

1 .2204+ 0 3 4 78.275

1 .2060 IL 4 3 2 79.391

1.1932 6 4 6 1 80.416

1 . 1901 3 0 4 4 80.671

1.1862 1 3 9 1 80.992

1 . 1554M 1 2 0 4 83.625

1. 1554M 3 5 3 83.625

1 . 1400 IL 2 10 2 85.014

1 . 1314M 3 1 9 3 85.821

1.1314M 1 11 2 85.821

1.1152+ 3 3 10 1 87.377

1.1152+ 0 6 4 87.377

1. 1042 IL 4 6 2 88.466

1 .0987 4 3 9 2 89.028

1 .0915 1 4 0 3 89.782

1 .0887 2 5 3 1 90.066

1.0789 IL 4 2 3 91.122

1.0779 IL 1 13 0 91 .230

1 .0758 1 0 12 2 91.453

1 .0733+ 1 0 7 4 91.729

1.0733+ 2 12 1 91.729

1.0542 IL 1 13 1 93.892

1.0507 IL 3 1 4 94.302

1.0438 IL 4 4 3 95.117

1 .0414+ IL 5 1 2 95.408

1.0414+ 5 5 1 95.408

1.0394 1 2 6 4 95.656

1.0287 2 3 3 4 96.980

1.0201 2 5 3 2 98.076

1 .0176 1 2 10 3 98.402

1 .0073 1 2 12 2 99 . 758

.9996 IL 5 7 0 100.816

.9920 3 4 6 3 101 .886 .9879M 1 3 9 3 102.473

.9879M 3 11 2 102.473

57
Iron Niobium Oxide, Fe4Nb209

Synonym

Iron niobate

Sample

The sample was prepared by blending Fe^Nb206

with Fe203 in the appropriate molar ratio.

The mixture was heated in an iron boat at 1160 °C for 8 hours, in a controlled

atmosphere with the partial pressure of

oxygen less than or equal to 10~^^ atm. The product was essentially single phase

and contained only a trace of Fe^Nb20e

as a second phase.

Color

Colorless

Structure

Hexagonal, P6/""", Z = 2, isostructural

with Co4Nb209 (Bertaut et al., 1960).

Crystallographic constants of this sample

a = 5.2253(2) A

c - 14.2070(8)

c/a = 2.7189

V = 335.94 a3

Density (calc) ~ 5.469 g/cm^

Figure of merit

F30 = 46.6(0.0097,66)

Reference

Bertaut, F. , Corliss, L., and Forrat, F. (1960). C. R. Hebd. Seances Acad. Sci.

251, 1733.

CuKa A = 1.540598 A; mean T = 27.6 °C

^ o Internal standards W, a = 3.16524 A Fluorophlogopite , SRM 675

d(A) I ^ hk£ 2e(°) o = ±2

7 12 1 0 0 2 12 428

4 524 20 1 0 0 19 605

3 818 23 1 0 2 23 282

3 553 2 0 0 4 25 040

2 793 100 1 0 4 32 019

2 611 72 1 1 0 34 314

2 368 3 0 0 6 37 961

2 287 12 1 1 3 39 369

2 263 2 2 0 0 39 801

2 1557 2 2 0 2 41 873

2 1045 2 1 1 4 42 941

2 0979 2 1 0 6 43 083

1 9084 29 2 0 4 47 612

1 7753 4 0 0 8 51 432

1 7540 31 1 1 6 52 101

d(A) J rel

a = ±2

hk£ 2e(°)

1.7108 2 2 1 0 53.520

1 .6630 3 2 1 2 55.187

1 .6530 7 1 0 8 55.552

1 .6362 1 2 0 6 56. 172 1.5413 23 2 1 4 59.972

1 .5087 21 3 0 0 61 .405

1 .4684 2 1 1 8 63.279

1 .3973 3 2 0 8 66.911

1 .3886 3 3 0 4 67 . 385

1.3555 8 1 0 10 69.261

1 .3065 4 2 2 0 72.255

1 .2721 2 3 0 6 74.531

1.2594 1 2 2 3 75.419

1 .2553 IL 3 1 0 75.704

1 .2360 2 3 1 2 77. 103

1.2322 3 2 1 8 77.388

1 .2032 4 2 0 10 79.617

1 . 1835 6 3 1 4 81.216

1 . 1496 1 3 0 8 84. 143

1 . 1440 4 2 2 6 84.655

1 . 1316 IL 4 0 0 85.800

1 .0929M 4 2 1 10 89.626

1.0929M 0 0 13 89.626

1 .0781 2 4 0 4 91 .206 1.0522 IL 2 2 8 94. 120

1.0270 IL 3 2 2 97. 185

1 .0251 1 3 1 8 97.426

.9965 3 3 2 4 101 .247 .9903 2 1 0 14 102. 129 .9875 4 4 1 0 102.524

.9541 1 4 0 8 107.679

.9508 1 3 2 6 108.215

.9460 1 1 1 14 109.033

. 9407 3 3 1 10 109.944

.9260 2 2 0 14 112.582

.9114 3 4 1 6 115.386

.8962 IL 3 2 8 118.532

.8849M IL 4 0 10 121.021

.8849M 3 0 13 121.021

.8770 IL 5 0 4 122.887

.8727 2 2 1 14 123.940

.8709 3 3 3 0 124.382

.8629 IL 4 1 8 126.414

58
Iron Silicate (Fayalite), Fe2Si04

Synonym

Ferrous orthosilicate

Sample

The sample was prepared by grinding together

equimolar parts of Fe203 and Si02 under acetone. After drying, the specimen was transferred to

a high purity iron boat. It was heated twice

for 8 hours each time in a controlled

atmosphere with the partial pressure of

oxygen less than or equal to 10~^° atm,

first at 1110 °C and then at 1150 °C.

Color

Grayish olive

Structure

Orthorhombic , Pmnb (62). The structure was determined by Rinne et al . (1924) and an indexing error was corrected by Bragg and Brown (1926).

Crystallographic constants of this sample

a = 6.0902(5) A

b = 10.4805(8)

c = 4.8215(5)

a/b = 0.5811

c/b = 0.4600

V = 307.75 A^

Density (calc) - 4.398 g/cm^

Figure of merit

F30 = 70.4(0.010,44)

Polymorphism

Fayalite is converted to a cubic form with

spinel structure at high pressure and

temperature (Ringwood, 1958).

Additional patterns

PDF card 20-1139 (Feier, British Museum

(Natural History), London)

PDF card 31-649 (Smith et al., Penn State U.,

University Park, PA) calculated pattern

References

Bragg, W. L. and Brown, G. B. (1926).

Z. Kristallogr. 63, 538.

Ringwood, A. E. (1958). Geochim. Cosmochim.

Acta, T5, 18.

Rinne, F., Leonhardt, J., and Hentschel, H. (1924). Z. Kristallogr. 59, 548.

0 CuKa^ A = 1.540598 A; temp . 26±1 °C Internal standa rd W, a = 3 . 16524

0A

0 d(.A;

. rel

1 nKJc 0 - I

J

5.242 6 0 2 0 16.901

4.380 9 0 1 1 20.257

3.974 11 1 2 0 22.353

3. 783 7 1 0 1 23.496

3 . 550 c c

1

1

1 1 9 c n 1 0 zr) . u 1

V

3.064 6 1 2 1 29. 123 3.046 7 2 0 0 29.295

2.829 86 0 3 1 31 .599 2.633 32 2 2 0 34.020

z . 0 1 y

A

u

/, nU

2.565 45 1 3 1 34.952

2.500 100 2 1 1 35.893

2.407 25 1 4 0 37.331

2.351 10 0 1 2 38.259

/ . J 1 1 /.J z z 1 00 Q /, Q jfi . y^>y

2.303 21 0 4 1 39.073

2.193 9 1 1 2 41 . 134

2. 1532 7 1 4 1 41 .923 2.0723 8 2 3 1 43.643

cJ z U H J . 0 J J

1 .9855M 0 3 2 45.655

1 .9220 5 0 5 1 47.253

1 .8418 12 3 1 1 49.446

1 .8327 10 1 5 1 49.709

1 7 7 Q 1 7 Q Z9Z9z D 1 . D^D

1.7735 65 0 4 2 51.486

1 .7624 6 3 2 1 51.834

1 . 7032 13 . 1 4 2 53.779

1 .6789 15 1 6 0 54.621

I . D'ty D 1

1

3 J 1

1.6253 17 2 5 1 56.581

1 .6044 9 3 4 0 57.386

1 .5885 6 0 1 3 58.014

1 .5367M 11 0 2 3 60. 166

1 . 5367M 1 1 3 60 . 166

1 .5331 10 2 4 2 60.326

1 .5225M 26 4 0 0 60.789

1 .5225M 3 4 1 60.789

1 .5151 31 2 6 0 61 . 115

1 .4896M 3 1 2 3 62.276

59
Iron Silicate (Fayalite), Fe2Si04 - (conti nued)

d(A) J rel

a = ±3

hkS. 2e(°)

1 .4896M 3 2 2 62.276

1 .4602 9 0 3 3 63.679

1 .4383 2 4 1 1 64.765

1 4300 Q 7 I 65 186

1 .4201 8 1 3 3 65.698

1 .4085 10 2 1 3 66.311

1.3962 3 3 5 1 66.971

1 .3778 6 1 6 2 67.986

1 .3719 9 2 2 3 68 . 315

1 .3408 13 4 3 1 70. 130

1.3365 12 1 4 3 70.386

1.3240 5 3 6 0 71 . 156 1.3165M 3 4 4 0 71 .624

1 3 165M 2 3 3 71 .624

1 .2868 5 4 0 2 73.542

1 .2832 6 2 6 2 73. 780

1 .2699 IL 4 4 1 74.686

1.2507 2 3 1 3 76.032

1 2478M i 3 5 2 76.241

1.2478M 1 5 3 76.241

1 .2053 5 0 0 4 79.446

1 .2034 3 2 8 0 79 .601

1 . 1935 1 4 5 1 80.395

1 . 1855 4 3 3 3 81 . 045

1 . 1830 3 0 6 3 81 .258

1 . 1763 8 2 5 3 81 .818

1 . 1737M 7 2 7 2 82.037

1 . 1737M 5 1 1 82.037

1 . 1673 -I 2 8 82.581

1 . 1606M 4 1 6 3 83. 168

1 . 1606M 3 6 2 83. 168

1 . 1556 6 4 4 2 83.611

1 . 1512 4 0 8 2 84.004

c; D 4

1 . 1311 1 1 8 2 85.848

1 . 1188 4 5 3 1 87.020

1 . 1143 3 2 1 4 87.467

1 .0992 2 4 1 3 88.981

1.0959 13 2 2 4 89.319

1 .0811M 2 5 1 2 90.875

1 .0811M 4 2 3 90.875

1.0767M 2 2 8 2 91.355

1.0767M 5 4 1 91.355

60
Iron Titanium Oxide (Ul vbspi nel ) , Fe2Ti04

CuKa K - 1.540598 A; temp. 26±1 °C

1 o Internal standards W, a = 3.16524 A Fluorophlogopite, SRM 675

Synonym

Iron titanate

CAS registry no. 12434-86-5

Sample

The sample was prepared from stoichiometric

amounts of Fe203 and Ti02, blended in an agate

mortar. The mixture was dried and transferred

to a high-purity iron boat for heat treatments.

All heatings were done in a controlled atmo- sphere at an oxygen partial pressure of 1Q~^^

atmosphere or lower. Three heatings, 1140 °C for 8 hours, 1150 °C for 8 hours, and 1200 °C for 8 hours were sufficient to yield a single

phase, well crystallized product.

Color

Dark gray

Structure

Cubic, Fd3m (227), isostructural with spinel,

MgAl204 (Barth and Posnjak, 1932). The structure was refined by Forster and Hall

(1965) by neutron diffraction methods.

Crystallographic constants of this sample

a = 8.53520(12) A

Z = 8 V = 621.786 A^

Density (calc) - 4.777 g/cm"^

Figure of merit

F30 = 124.2(0.0069,35)

Additional patterns

PDF card 24-537 (Ashworth, Dept. of Geology,

Univ. of Durham, U.K.)

Forster and Hall (1965)

Pouillard (1950)

References

Barth, T. F. W. and Posnjak, E. (1932). Z. Kristallogr. 82, 325.

Forster, R. H. and Hall, E. 0. (1965). Acta

Crystallogr. 18, 857.

Pouillard, E. (1950). Ann. Chim. Paris 5, 164.

d(A) l"''^ hk£ 2e(°) a = ±2

4 924 8 1 1 1 18 002

J u 1

0

J J z z u

2 573 100 3 1 1 34 837

2 4640 . 6 2 2 2 36 434

2 1339 19 4 0 0 42 321

1 7419 10 4 2 2 52 490

i J J J J. 1 J J

Q "^9 V jZ

1 5089 39 4 4 0 61 395

1 4427 1 5 3 1 64 545

1 3495 3 6 2 0 69 615

1 3016 7 5 3 3 72 572

11 ZOO / J u 9 c. 7 SSI

1 2318 2 4 4 4 11 413

1 1952 IL 7 1 1 80 255

1 1406 3 6 4 2 84 960

1 1111 8 7 3 1 87 782

1 0669 2 8 0 0 92 435

1 .0059 1 6 6 0 99 948

.9856 5 7 5 1 102 805

.9792 2 6 6 2 103 754

.9543 2 8 4 0 107 649

.9369 IL 7 5 3 110 606

.9099 IL 6 6 4 115 689

.8947 4 9 3 1 118 843

.8711 10 8 4 4 124 332

.8578 IL 7 7 1 127 778

.8370 2 10 2 0 133 953

.8251 4 7 7 3 138 003

.8212 2 10 2 2 139 428

.7959 IL 9 5 3 150 838

61
Lanthanum Boride, LaBg

CAS registry no. 12008-21-8

Sample

The sample from Koch-Light Laboratories,

Colnbrook Bucks, England was donated by

H. Gobel, Munich, Germany.

Color

Purplish black

Structure

Cubic, Pm3m (221), isostructural with CaBg.

The structure was determined by von Stackelburg and Neumann (1932).

Crystallographic constants of this sample

a = 4.15690(5) A

Z = 1 V = 71.830 a3

Density (calc) = 4.711 g/cm^

Figure of merit

F24 = 180.5(0.0055,24)

Additional pattern

PDF card 6-0401 (American Electro Metal

Corp., Yonkers, NY)

Reference

Stackelburg, von, M. and Neumann, F. (1932).

Z. Phys. Chem. (Leipzig) B19, 314.

CuKa K = 1.540598 A; mean T = 25.9 °C

^ o Internal standards Ag, a = 4.08651 A Fluorophlogopite , SRM 675

d(A) l""^^ hkS, 2e(°)

CT = ±5

4 158 54 1 0 0 21 354

2 939 100 1 1 0 30 387

2 3998 41 1 37 445

2 0780 22 2 0 0 43 517

8586 46 2 1 0 48 969

1 6969 24 2 1 1 53 995

1 4697 8 2 2 0 63 218

1 3853 23 3 0 0 67 564

1 3143 16 3 1 0 7

757

I 2533 10 3 I 1 75 849

1 2000 2 2 2 2 79 869

1 1529 6 3 2 0 83 849

1 1110 13 3 2 1 87 793

1 0393 2 4 0 0 95 665

1 0082 8 4 1 0 99 640

9798 7 4 1 1 103 656

9536 3 3 3 1 107 755 9295 4 4 2 0 111 940

9071 9 4 2 1 116 250

8862 3 3 3 2 120 725

8485 3 4 2 2 130 416

8314 3 5 0 0 135 794

8152 10 5 1 0 141 773

8000 6 5 1 1 148 670

f

62
Lithium Thorium Molybdenum Oxide, Li ^Th7 (M0O4

)

Synonym

Lithium thorium molybdate

Sample

One mole of Li2Mo04, 3.5 moles of Th02 and

7 moles of M0O3 were heated at 700 °C for

21 hours.

Color

Colorless

Structure

Cubic, r"3" Martel and Roth (1981).

Apparently isostructural with cubic phase

in the system lithium thorium tungsten

oxide, Finch and Clark (1965).

Crystallographic constants of this sample

a = 14.4504(3) A

V = 3017.5 A^

Density (calc) = 4.635 g/cm^

Figure of merit

F30 - 108.8(0.0073,38)

References

Finch, C. B. and Clark, G. W. (1965). J. Appl. Phys. 36, 2143.

Martel, L. C. and Roth, R. C. (1981). Am. Ceram. Soc. Bull. 60, 376.

0 CuKa^ K = 1.540598 A; temp . 26±1 °C Internal standard W, a = 3 . 16524

0A

d(A) jrel hk£ 2e(°) a = ±2

5.894 15 2 1 1 15.018

5. 104 59 2 2 0 17.361

4.571 IL 3 1 0 19.402

3.862 68 3 2 1 23.010

3.611 94 4 0 0 24.635

3.231 37 4 2 0 27 .582 3.081 100 3 3 2 28.954

2.950 75 4 2 2 30.269

2.834 10 5 1 0 31.544

2.638 26 5 2 1 33.954

2.5561 34 4 4 0 35.079

2.4786 5 5 3 0 36.213

2.3433 8 6 1 1 38.383

2.2851 23 6 2 0 39.401

2.2306 19 5 4 1 40.404

2. 1304 20 6 3 1 42.393

2.0862 5 4 4 4 43.336

2.0435 22 5 5 0 44.290

2.0037 6 6 4 0 45.218

1.9661 56 7 2 1 46. 131

0 d(A) J rel

0 = ±2

hk£ 2e(°)

1 . 9308 43 6 4 2 47 . 025

1 . 8972 17 7 3 0 47 .911

1 . 8350 67 7 3 2 49 . 642

1 .8061 16 8 0 0 50.492

1 . 7787 20 7 4 1 51 .325

1 . 7524 7 8 2 0 52 . 152

1 . 7270 15 6 5 3 52 . 979

1 . 7031 14 6 6 0 53 . 782

1 .6797 30 7 5 0 54.592

1 .6151 11 8 4 0 56.972

1 . 5956 3 9 1 0 57 . 732

1 .5583 40 7 6 1 59 . 249

1 . 5407 8 6 6 4 59 . 997 1.5231 20 9 3 0 60.761

1.4905 15 9 3 2 62.237

1 . 4750 2 8 4 4 62 . 963

1 .4598 10 7 7 0 63 . 696

1 .4450 5 8 6 0 64. 428

1 .4312 2 10 1 1 65. 123

1 .4169 11 10 2 0 65.865

1 . 4036 3 9 4 3 66.571

1 . 3774 25 10 3 1 68 . 006

1 . 3533 7 8 7 1 69 . 386

1 .3415 4 10 4 0 70.091

1 .3299 26 10 3 3 70. 791

1 . 3192 4 10 4 2 7 1 . 455

1 . 3082 1

1

1

1

1 0 72 . 149

1 . 2872 16 10 5 1 73 . 517

1.2771 3 8 8 0 74. 196

1 .2673 10 11 3 0 74.864

1 . 2482 15 1

1

3 2 76.215

1 . 2390 5 10 6 0 76 .879

1 . 2299 14 1

1

4 1 77 . 555

1 .2126 14 9 6 5 78.873

1 .2041 3 12 0 0 79.543

1 . 1960 21 1

1

5 0 80 . 195 1.1878 5 12 2 0 80 . 856

1 . 1797 9 1

1

5 2 81 . 528

1 .1723 4 12 2 2 82. 158

1 . 1643 8 12 3 1 82.846

1 . 1497 1

1

1

1

6 1 84. 131

1 . 1354 6 9 9 0 85 . 445

1 . 1283 2 10 8 0 86 . 107

1 . 1216 15 11 6 3 86.756

1 . 1150 2 10 8 2 87.396

1 . 1083 8 1

1

7 0 88 . 055 1.0956 5 11 7 2 89.350

1.0893 1 12 4 4 90.010

1 .0832 5 13 3 0 90.658

1.0772 4 12 6 0 91.302

1.0712 4 11 6 5 91.959

1.0655 1 12 6 2 92.601

1.0597 12 11 8 1 93.260
Lithium Thorium Tungsten Oxide, Li4Th7(W04)i6

Synonym

Lithium thorium tungstate

1 Sample

Li2W04 was prepared by reacting Li2C03

and WO3 in equimolar proportions at 700 °C for 24 hours to form Li2W04. Then Li2W04,

Th02 , and WO3 in the molar ratios of 1:3.5:7 were ground together under acetone, heated

in gold to 700 °C for 48 hours with regrinding

every 24 hours, then heated a further 16 hours

at 700 °C, reground and heated at 750 °C for

21 hours.

Color

Colorless

Structure

Cubic, I"3". Finch and Clark (1965) referred to

a body-centered cubic phase of this approximate

composition.

Crystallographic constants of this sample

a = 14.4969(4) A

V = 3046.7

Density (calc) = 6.124 g/cm^

Figure of merit

F30 = 159.6(0.0049,38)

Reference

Finch, C. B. and Clark, G. W. (1965). J. Appl. Phys. 36, 2143.

CuKa A = 1.540598 A; mean T = 26.0 °C

^ o Internal standards W, a = 3.16524 A Fluorophlogopite , SRM 675

° rel d(A) I hkH 2Qi°) O = ±4

5 .920 8 2 1 1 14 .952

5 . 127 10 2 2 0 17 .281

4 . 586 7 3 1 0 19 . 340

3 .875 68 3 2 1 22 . 931

3 .625 80 4 0 0 24 . 540

3 .242 50 4 2 0 27 .489

3 .091 100 3 3 2 28 .860

2 . 9593 44 4 2 2 30 . 175

2 . 8430 15 5 1 0 31 . 441

2 .6465 19 5 2 1 33 . 843

2 .5625 24 4 4 0 34 .988

2 .3518 14 6 1 1 38 .239

2 . 2922 4 6 2 0 39 . 273

2 . 2376 10 5 4 1 40 .272

2 . 1378 30 6 3 1 42 . 240

2 0931 1 4 4 4 43 .187

2 0500 13 5 5 0 44 . 142

2 0103 12 6 4 0 45 . 062

1 9725 53 7 2 1 45 973

1 9369 28 6 4 2 46 868

1 9031 18 7 3 0 47 751

1 8412 61 6 5 1 49 463

1 8122 16 8 0 0 50 310

1 7844 13 7 4 I 5

148

1 7582 12 8 2 0 5

969

1 7327 20 6 5 3 52 790

1 7088 9 8 2 2 53 588

1 6853 35 7 5 0 54

1 6417 IL 7 5 2

1 6210 9 8 4 0 S6 746

1 5634 40 7 5 u 0 0

1 5455 5 6 6 4 59 792

1 5280 11 9 3 0 60. 548

1 4954 13 9 3 2 62. Oil

1 4794 1 8 4 4 62. 756

14645 6 7 7 0 63. 471

14499 7 8 6 0 64. 184

1

4354 1 10 1 1 64. 910

1

4215 9 10 2 0 65. 624

14082 4 9 5 0 66. 324

1. 3823 29 10 3 1 67. 733

1. 3579 5 8 7 1 69. 123

1

3460 5 10 4 0 69. 819

1. 3347 28 9 6 1 70. 498

1

3235 3 10 4 2 71. 183

64
Lithium Thorium Tungsten Oxide, Li4Th7 (WO4 ) i e ' (continued)

0 d(A)

rel

a = ±4

2e(°)

1 . 3125 1 ] ] 1 0 71 .874

1 . 2913 13 10 5 1 73.241

1.2814 2 8 8 0 73 . 902

1.2716 9 11 3 0 74.567

1 .2525 14 9 7 2 75.909

1 . 2431 5 1 0 0 76 . 580

1 . 2342 8 1 1 4 ]^ 77

1 . 2165 14 9 5 78 S71 1.2082 13 12 0 0 79.219

1 . 1999 17 11 5 0 79.876

1.1917 6 12 2 0 80 . 542

1 . 1839 7 10 7 1 81. 182

1 . 1760 3 12 2 2 81 . 842

1 . 1682 7 12 3 1 82.504

1. 1534 8 11 6 1 83.803

1 . 1390 3 12 3 3 85.113

1 . 1319 3 10 8 0 85 . 77

1

1 . 1252 16 9 9 2 86 . 409

1 . 1185 1 10 8 2 87.056

1 . 1118 4 11 7 0 87.713

1 .0989 3 13 2 1 89.006

1.0926 2 12 4 4 89 .656 1.0864 5 13 3 0 90.312

1 .0803 5 12 6 0 90.962

1 .0745 3 10 9 1 91 .601

1 .0686 1 12 6 2 92.255

1 .0628 9 11 8 1 92.902

1

65
Lithium Titani

Synonym

Lithium titanate

Sample

The sample was obtained from J. C. Mikkelson

of Xerox Palo Alto Research Center, Palo Alto,

CA.

Color

Colorless

Structure

Orthorhombic , Pbnm (62). Its ramsdellitelike structure was qualitatively determined

by Lundberg and Andersson (196A).

Crystallographic constants of this sample

a = 5.0182(4) A

b = 9.5523(8)

c = 2.9455(3)

a/b = 0.5253 : c/b = 0.3084

V = 141.19 A^

Density (calc) = 3.170 g/ cm^

Figure of merit

F30 = 62.0(0.012,42)

Reference

Lundberg, M. and Andersson, S. (1964). Acta

Chem. Scand. 18, 817.

CuKa K = 1.540598 A; temp. 26±1 °C

^ o Internal standard W, a = 3.16524 A

d(A) \ I hk£ 26 (°) a = ±4

4 777 3 0 2 0 18 561

4 440 100 1 1 0 19 982

3 461 9 1 2 0 25 721

2 688 46 1 3 0 33 303

2 541 3 1 0 1 35 291

2 507M 24 2 0 0 35 790

2 507M 0 2 1 35 790

2 457 23 1 1 1 36 543

2 388 2 0 4 0 37 637

2 243 32 1 2 1 40 179

2 222 3 2 2 0 40 569

2 156 6 1 4 0 41 861

1 9857 13 1 3 1 45 651

1 9707 12 2 3 0 46 017

1 8554 3 0 4 1 49 060

1 7733 32 2 2 1 51 494

1 .7301 21 2 4 0 52 878

1 .6382 9 2 3 1 56 095

1 .5923 IL 0 6 0 57 863

1 .5792 3 3 2 0 58 389

Oxide, Li2Ti307

0 d(A)

^rei rf* 1

a = ±4

hk£ 2e(°)

1 . 5265 ] 7 1 5 1 60.612

1 . 4917 2 2 4 1 62. 179

1 . 4814 7 3 3 0 62 . 663

1 .4729 7 0 0 2 63.067

1 .4540 5 3 0 1 63.981

1 . 4380 14 3 1 1 64. 782

1 . 4001 10 0 6 1 66 . 760

1 . 3976 9 1 1 2 66 . 895

1.3913 2 3 2 1 67.236

1 .3697 2 3 4 0 68.444

1 . 3444 2 2 6 0 69.916

1 . 3233 1 3 3 1 71 . 198

1 .3168 4 1 7 0 71 . 605

1.2914 6 1 3 2 73.235

1.2703 1 2 0 2 74.658

1 . 2589M 3 2 1 2 75 .451

1 . 2589M 3 5 0 75 . 451

1 . 2440 3 4 1 0 76.519

1 .2418 3 3 4 1 76.678

1 .2230 1 2 6 1 78.078

1 .2162 IL 1 4 2 78.601

1 . 1940 1 0 8 0 80. 354

1 . 1798 2 2 3 2 81 .523

1. 1617 1 1 8 0 83.074

1 . 1573 1 3 5 1 83.457

1 . 1530 2 3 6 0 83 . 837

1 . 1458 2 4 1 1 84.485

1 . 1216M 6 4 2 1 86 . 750

1 . 1216M 2 4 2 86. 750

1 . 1103M 1 4 4 0 87.861

1 . 1 103M 2 7 1 87 . 861

1 . 1069 2 0 8 1 88.200

1 . 0979 IL 3 1 2 89 . 108

1 .0849 1 4 3 1 90.469

1 .0781 2 2 8 0 91.201

1 . 0769 2 3 2 2 91 . 332

1 . 0740 2 3 6 1 91 . 648

1.0575M 3 2 5 2 93.511

1 . 0575M J

-7 U

Q Q R 1 1 y J . 3 i 1

1 .0488 1 4 5 0 94.522

1 .0444 2 3 3 2 95.051

1.0392 IL 4 4 1 95.673

1.0124 2 2 8 1 99.082

.9982 1 5 1 0 101 .013

66
Magnesium Manganese Zinc Iron Sulfate Hydroxide Hydrate, Zi ncobotryogen

,

(Zn,Mg,Mn)Fe(S04)2(0H)-7H20

Sample

The specimen from the northern border of the

Tsadam Basin, China was obtained by E. C. T. Chao of the U.S. Geological Survey.

Chemical analysis

SO3-36.O3, Fe203-18.34, MgO-2.50, FeO-0 . 85

,

MnO-1.75, ZnO-11.77, H2O+29.I3, minor

H20-Na20; this corresponds t^ the formula

(Zno.59Mgo.26Mno.ioFeo.o5)Fe 3(S04)2(0H)-

7H2O (Kwanchih et al., 1964).

Color

Deep orange

Optical data

Biaxial(+)

.

N = 1.587.

a2V

1.542, N„ = 1.551.

P 54° (calc.) Ibid.

Structure

Monoclinic, P2i/n (14). The structure was determined by Siisse (1968).

Crystallographic constants of this sample

a = 10.523(2) A

b = 17.841(3)

c = 7.137(2)

p - 100. 11 (2)°

a/b = 0.5898

c/b = 0.4000

Z = ^ V = 1310. 10 Density (calc) = 2.237 g/cm^

Figure of merit

F30 = 44.6(0.011,61)

Additional pattern

Kwanchih et al. (1964)

References

Kwanchih, T., et al. (1964). Ti Chih K'o Hsueh (Geol. Sci.), No. 11, 313.

Siisse, von P. (1968). Acta Crystal logr . , Sect. B, 24, 760.

CuKa^ A = 1.540598 A; mean T 25.7 °C Internal standards Si, SRM 640a

Fluorophlogopi te , SRM 675

d(A)

rel hk£

a = ±4

2e(°)

8 96 100 1 1 0 9 860

(1D / 0

P0

1i z u 1 J nan

J 0

_ 1 u

11 1 J

Q.7 zo9 A

J QQn 00 1

1

1 1

J I/O

J JZD nu 9 11 1 0

5 395 28 1 0 1 16 419

3 i D jii 1 1

1L 1 /

1 A9

D i D jl 1 L u

1 7 1

JL A9D Z

/, 0 1 0 1 7 1L z i ZZO

4 0U

-3 11

1 Q

4 480 23 2 2 0 19 800

AH HJ 0 .do nu

A nu 1 Q 4

_ 9 1111 DAQ

/,H_ 1111 zu AA7

4 1 A 9 1

3 905 27 2 3 0 22 753

•:! 1 uu H i Q 4 11 Z J

•3J D J J q _ 11 A

1

'^'^ J J J

QJ 3 H i 4 1 9 Z9 1i ZD9 ^ 1 Zo

J Z J

_ 11

1 z9 Z J 7Q 9 / VZ

3 389 32 3 1 0 26 278

3 343 19 -3 0 1 26 640

3 161 26 0 2 2 27 277

3 219 51 3 2 0 27 689

3 181M 17 0 5 1 28 030

3 181M -2 0 2 28 030

3 112M 14 1 1 2 28 664

3 112M -1 5 1 28 664

3 027M 61 -1 3 2 29 485

3 027M 0 3 2 29 485

2 987 16 3 3 0 29 894

2 905 12 3 0 1 30 750

2 867 7 3 1 1 31 172

2 858 6 1 6 0 31 269

2 813 24 -2 5 1 31 787

2 803 31 -2 3 2 31 907

2 762M 52 -1 4 2 32 384

2 762M 3 2 1 32 384

2 732 13 3 4 0 32 752

2 695M 13 2 0 2 33 210

2 695M -1 6 1 33 210

2 673 15 -3 4 1 33 502

2 609 8 3 3 1 34 349

2 594 11 -3 2 2 34 554

2 580M 14 2 2 2 34 747

2 580M 1 4 2 34 747

2 563 12 4 1 0 34 987

2 555 12 -4 1 ] 35 090

2 487 28 4 2 0 36 080

2 480M 28 3 5 0 36 190
Magnesium Manganese Zi nc Iron Sulfate Hydroxide Hydrate, Zincobotryi

(Zn,Mg,Mn)Fe(S04)2(0H)-7H20 - (continued)

ogen,

d(A)

- rel

a = ±4

hk£ 2e(°)

2 480M -4 2 1 36 190

2 439 10 -3 5 1 36 815

2 432 8 3 4 36 926

2 396 10 0 7 37 512

2 368M 23 -4 3 J 37 963

2 368M 1 5 2 37 963

2 294 5 -1 2 3 39 237

2 284M 10 -4 0 2 39 414

2 284M 4 1 1 39 414

2 271 + 7 -2 1 3 39 659

2 271 + -1 6 2 39 659

2 255 9 3 6 0 39 947

2 229M 12 0 8 0 40 440

2 229M 4 2 1 40 440

2 180M 7 1 8 0 41 392

2 180M 0 3 3 41 392

2 172 20 -2 6 2 41 537

2 134 9 -4 3 2 42 322

2 097M 14 -1 4 3 43 106

2 097M 4 5 0 43 106

2 092 14 -4 5 1 43 217

2 0776 18 3 6 1 43 526

2 0611M 22 -3 2 3 43 891

2 0611M 1 8 1 43 891

2 0241 8 3 4 2 44 738

2 0032M 7 -2 8 1 45 229

2 0032M -3 6 2 45 229

1 9857 11 1 7 2 45 651

1 9580M 6 0 5 3 46 333

1 9580M 2 2 3 46 333

1 9521 7 4 6 0 46 481

1 9473 7 1 9 0 46 604

1 9275M 10 -5 1 2 47 110

1 9275M -2 5 3 47 110

1 9241 1

-4 5 2 47 200

1 9179 11 4 1 2 47 360

1 8999M 9 2 3 3 47 837

1 8999M 5 0 1 47 837

1 8841 10 -1 8 2 48 264

1 8598 11 1 9 1 48 935

1 8557M 12 -1 6 3 49 050

1 8557M -3 8 1 49 050

1 8296 7 2 4 3 49 799

1 8242 9 -2 8 2 49 955

1 8195 + 13 -4 3 3 50 093

1 8195+ -2 9 1 50 093

1 8144M 16 -2 6 3 50 243

1 8144M -4 7 1 50 243

68
Magnesium Silicate (CI i noenstati te) , MgSiOa

Synonym

Magnesium metasilicate

CAS registry no. 13776-74-4

Sample

The sample was prepared by solid state reaction of basic magnesium carbonate and

Si02- After an overnight calcine at 850 °C,

the sample was heated at temperatures in the

1450 °C to 1500 °C range for about 4 days

with daily regrindings.

Color

Colorless

Structure

Monoclinic, PZj/c (14). The structure was determined by Morimoto et al. (1960).

Crystallographic constants of this sample

a = 9 6061(10)A

b = 8 8185(8)

c = 5 1710(5)

P = 108 289(10)°

a/b - 1 0893

c/b = 0 5864

Z = 8 V = 415 92 a3 Dens ity (calc) = 3.206 g/cm^

Figure of merit

F30 = 56.7(0.010,52)

Polymorphism

There has been and still is considerable

controversy. The present view is that there

is a stable high temperature form, orthorhombic protoenstatite and a stable low

temperature form, ortho rhombic enstatite.

Protoenstatite on cooling reversibly

transforms into metastable monoclinic

clinoenstatite

.

Additional patterns

PDF card 19-769 Stephenson et al. (1966)

Smyth (1974)

References

Morimoto, N. , Appleman, D. E., and Evans,

H. T. (1960). Z. Kristallogr. UU, 120.

Smyth, J. R. (1974). Am. Mineral. 59, 345.

Stephenson, D. A., Sclar, C. B. , and Smith,

J. V. (1966). Mineral. Mag. 35, 838.

o

1 .540598 A; mean T = 26±2 °C

Intcirns 1 t" ^ ri H ^ r* H Ag, a = 4

O Oft^Sl Vy iJ . J 1 A

o d(A)

rel

1 2e(°)

o = ±4

6 . 341 X 1 1 0 13.955

4 . 410 g 0 2 0 20.119

4.372 3 -1 1 20 . 296

4.293 8 0 1 1 20.673

4.048 IL 2 1 0 21 .937

3 . 530 4 1 1 I 25 . 206

3.316 8 -1 2 1 26 . 863

3 . 280 30 0 2 1 27 . 162

3. 170 47 2 2 0 28. 125 3.041 4 3 0 0 29.350

2.976 69 -2 2 1 30 . 000

2 . 874 100 3 1 0 3 1 . 094

2 . 798 3 1 3 0 3 1 . 956

2.769 2 2 1 1 32.308

2.582 2 -1 0 2 34.716

2 .539 23 -1 3 35 . 323

2 . 523 19 0 3 35 555 2.516 17 -2 0 2 35 . 659

2.472 13 2 3 0 36.319

2.455 35 0 0 2 36.570

2 . 433 14 2 2 36 . 9 16

2 . 375 1

1

-2 3 37 . 847

2 . 280 4 4 0 0 39 . 483

2.209 9 4 1 0 40.815

2.204M 9 0 4 0 40.921

2 . 204M 1 0 2 40 . 921

2 . 1443M 5 0 2 2 42 . 107

2 . 1443M 1 4 0 42 . 107

2. 1380 5 1 1 2 42.237

2. 1166 26 -3 3 1 42.684

2 0901 5 -4 2 43 . 253

2 0359 3 -3 2 2 44 465

2 . 0247 6 4 2 0 44 . 722 2.0193 10 -1 4 1 44.849

2.0114 9 0 4 1 45.035

1 . 9862 6 2 4 0 45 . 639

1 . 9655 4 -4 1 2 46 . 148

1 . 9349 8 -2 4 46 . 921

1 . 9238 5 2 0 2 47 . 206

1.9135 2 1 4 1 47.476

1 .8847 2 0 3 2 48.249

1.8737 2 -5 1 1 48.549

1.8455 3 -4 3 1 49.339

1.8085 2 -3 3 2 50.420

1.8038 1 3 3 1 50.560

1 7862M 9 -3 4 1 51 095

1 7862M 5 1 0 51 095

1 7640M 7 2 2 2 51 784

1 7640M 1 3 2 51 784

1 7586M 8 2 4 1 51 955

69
Magnesium Silicate (CI inoenstatite), MgSiOg - (continued)

d(A)

a = ±4

hk£ 2e(°)

1.7586M -5 2 1 51.955

1.7311 7 1 5 0 52.844

1.7112 2 4 2 1 53.506

1 . 6763M 1 -

1

4 2 54. 713

1 .6763M -1 1 3 54.713

1.6713 2 3 0 2 54.890

1 .6595 5 0 5 1 55.315

1 .6480 5 -3 1 3 55.733

1 . 6412 7 3 1 2 55 . 983

1.6273 2 -5 2 2 56.504

1 .6054 30 -5 3 1 57.347

1.5920 4 -1 2 3 57.875

1 .5852 5 4 4 0 58. 147 1.5702 1 4 3 1 58 . 755 1.5608 1 -4 1 3 59. 146

1 .5340M IL 0 2 3 60.284

1.5340M 5 1 1 60.284

1.5257 9 3 5 0 60.648

1 . 5201 7 6 0 0 60.896

1.4857 10 -2 3 3 62.459

1 .4757 10 -1 3 3 62.933

1 .4695 11 0 6 0 63.229

1.4571M 2 -3 3 3 63.829

1 .4571M -1 5 2 63 . 829

1 .4507 1 1 6 0 64. 145

1 .4448M 1 1 2 3 64.436

1 .4448M -2 5 2 64.436

1 .4401 1 -6 2 2 64.675

1 .4320 3 0 5 2 65 .085

1 .4084 1 0 6 1 66.316

1 .4049 1 5 4 0 66.503

1.3981 2 -3 5 2 66.865

1 .3952 2 4 5 0 67.021

1 . 3762 1

1

5 3 1 68.074

1.3568M 6 -2 4 3 69. 182

1 .3568M 1 3 3 69. 182 1.3381 2 -7 0 2 70.294

1.3351C 2 -3 4 3 70.474

1 . 3233 3 3 6 0 71 . 195 1.3233 3 6 1 1 71. 195

1 .3139M 1 0 4 3 71.787

1.3139M -5 3 3 71.787

1.2888 2 7 1 0 73.411

1 .2867 2 -3 0 4 73.548

1.2776M 2 -2 1 4 74. 161

1 .2776M -1 6 2 74. 161 1.2696 3 3 1 3 74. 706

1 .2680 2 5 5 0 74.819

1 .2609 5 0 6 2 75.309

1.2579 3 -4 0 4 75.519

70
Magnesium Silicate (Forsterite) MgzSiO^

Synonym

Magnesium orthosilicate

CAS registry no. 10034-94-3

Sample

MgCOs and Si02 were mixed in a 2:1 molar

ratio and heated at 800 °C overnight,

1300 °C for 21 hours, 1500 °C for 25 hours,

and 1525 °C for 24 hours with intermittent

grinding. There was a trace of MgO in the

sample

.

Color

Colorless

Structure

Orthorhombic , Pmnb (62). The structure was solved by Rinne et al. (1924).

Crystallographic constants of this sample

a = 5.9817(5) A

b = 10. 1978(8)

c = 4.7553(3)

a/b

c/b

0.5866

0.4663

Z = 4 „ V = 290.07 A^

Density (calc) = 3.222 g/cm^

Figure of merit

F30 = 113.8(0.0068,39)

Additional patterns

PDF card 7-74 (Cillery, Coll. of Min. Ind., Penn. State University, University Park, PA)

Swanson and Tatge (1951)

References

Rinne, F. (1924) Z. Kristallogr. 59, 230.

Rinne, F., Leonhardt, J., and Hentschel, H. (1924) ibid 59, 548.

Swanson, H. E. and Tatge, E. (1953). Natl.

Bur. Stand. (U.S.) Circ. 539, Vol. 1, p. 83.

0 CuKa A = 1.540598 A; mean T = 26+2 °C Internal standard Si , SRM 640a

0 d(A) J re 1 hk£ 2e(°) a = ±4

5.102 22 0 2 0 17 . 367

H . o\J 1 AH 0 20.603

o . 0 0 1 7fi ] 2 0 22.895

9 S 0 \ 23.887

26 ] \ 25.458

3.477 22 0 2 1 25 . 601

3 006 1

4

2 29.691

9 QQ 1 18 2 0 0 29.852

66 0 3 ] 32.348

83 ]^ 3 1 35.748

2.4567 100 2 1 1 36.547

2 . 3456 13 ] 4 0 38.344

9 ^l SO 1

3

0 2 38.870

2.2673 57 2 2 1 39.722

2 2470 37 0 4 I 40.096

2. 1589 23 1 1 2 41 .807

2 . 0303 7 2 3 1 44.593

1 . 9479 0 3 2 46.589

1 . 9407 5 2 4 0 46.772

1 . 8744 g 0 5 1 48.531

1 .8608 3 2 0 2 48.908

1 8569 2 3 2 0 49 .018

1 . 8388 IL 3 0 1 49 .533

11 . R9QQ <-) ^.y y I 2 2 49.789

1 8090 4 3 \ 50.405

1.7886 5 1 5 1 51 .020

1 . 7483 7'^ 2 2 2 52.285

1 . / 0 0 u 24 0 4 2 52.598

i . / z.yH 5 2 52.899

L . UO 7 0 4 2 54.944

1.6347 15 1 6 0 56.226

1.6173 17 3 3 1 56.886

1 .6008 2 0 6 1 57 .527

1 .5884 4 2 5 1 58.020

1 .5708 11 3 4 0 58 . 733

1.5666 8 0 1 3 58.906

1.5323 2 1 0 3 60.357

1.5144 10 1 1 3 61.146

1.5111 9 3 1 2 61.295

1.5032 11 2 4 2 61.651

71
Magnesium Silicate (Forsteri te) , Mg2Si04 - (conti nued)

d(A) a = ±4hk£ 2e(°)

1 . 4990 20 1 5 2 61 . 845

1 . 4954 30 4 0 0 62 . 008

1 . 4780 33 2 6 0 62 . 825

1.4674 3 1 2 3 63.328

1.4638 3 3 2 2 63.505

1 . 4365 4 0 3 3 64. 853

1.4111 2 2 6 1 66 . 172

1 . 3968 13 1 3 3 66 . 934

1 .3930M 14 3 3 2 67. 143

1 .3930M 0 7 1 67. 143

1 . 3874 9 2 1 3 67 . 448

1 . 3748 2 2 5 2 68. 155

1 . 3657 IL 3 5 1 68 . 668

1 .3505 22 2 2 3 69.553

1.3465 15 0 4 3 69.793

1 . 3155 1

1

4 3 1 71 .685 1.3131 9 1 4 3 71 . 838

1 . 2937 5 3 6 0 73.085

1.2661 2 4 0 2 74.950

1 .2627 1 2 7 1 75. 185

1 . 2561 3 4 1 2 75.651

1 . 25 15 1 0 5 3 75.975

1 . 2477 3 3 6 1 76 . 246

1 .2448 3 4 4 1 76.456

1 .2411 3 3 0 3 76. 726

1.2317 1 3 1 3 77.420

1 .2276 2 2 4 3 77.732

1 .2228 2 3 5 2 78.089

1 .2160 IL 1 7 2 78.615

1 .2060 IL 1 8 1 79.391

72
Potassium Barium Niobium Oxide, KBa2(Nb03)5

° rp 1 d(A) I hk£ 20(°) a = ±4

Synonym

Potassium barium niobate

CAS registry no. 12400-06-5

Sample

The sample was made by heating a mixture of

KNbOs , BaCOs, and Nb20s at temperatures up

to 1340 °C for 56 hours with intermediate

grindings

.

Color

Colorless

Structure

Tetragonal, P4bm (100). Tungsten bronze

structure (Giess et al., 1969).

Crysta llographic constants of this sample

a = 12.5407(5) A

c = 4.0210(3)

c/a = 0.3206

V = 632.38 A3

Density (calc) = 5.348 g/cm^

Figure of merit

F30 = 104.2(0.0082,35)

Additional pattern

PDF card 28-375 (Giess et al., 1969)

Reference

Giess, E. A., Scott, B. A., Burns, G. , O'Kane,

D. F., and Segmiiller, A. (1969). J. Am. Ceram.

See. 52, 276.

0 CuKa A = 1.540598 A; mean T = 26±2 °C Internal standards w, a = 3. 16524 A Fluorophlogopite

,

SRM 675

d(A) J rel hk£ 2e(°) a = ±4

8.87 1 1 1 0 9.968

6.279 IL 2 0 0 14.093

5.609 1 2 1 0 15.787

4.433 IL 2 2 0 20.014

4.021 13 0 0 1 22.086

3.967 4 3 1 0 22.394

3.664 1 1 1 1 24.274

3.479 29 3 2 0 25.585

3.386 3 2 0 1 26.303

3.269 59 2 1 1 27.255

3.136 9 4 0 0 28.440

3.042 68 4 1 0 29.332

2.981 23 2 2 1 29.955

2.957 15 3 3 0 30.204

2.824 100 3 1 1 31.661

2 804 36 4 2 0 31 889

2 631 16 3 2 1 34 052

2 474 4 4 0 1 36 280

2 427 1 4 1 1 37 013

2 3811 1 3 3 1 37 750

2 3291 9 5 2 0 38 626

2 3015 1 4 2 1 39 108

2 2167 2 4 4 0 40 669

2 1506 17 5 3 0 41 976

2 0981 2 5 1 1 43 079

2 0901 3 6 0 0 43 252

2 0616 1 6 1 0 43 880

2 0100 25 0 0 2 45 069

1 9823 15 6 2 0 45 734

1 9581 1 5 4 0 46 332

1 9416 1 4 4 1 46 748

1 8963 4 5 3 1 47 934

1 8690 8 6 3 0 48 678

1 8544 14 6 0 1 49 088

1 7785 21 6 2 1 51 332

1 7733 27 5 5 0 51 492

1 7606 18 5 4 1 51 892

1 7404 7 3 2 2 52 540

1 7225 2 7 2 0 53 127

1 6951 9 6 3 1 54 056

1 6770 20 4 1 2 54 687

1 6622 4 3 3 2 55 217

1 6464 2 7 3 0 55 792

1 6339 11 4 2 2 56 256

1 6226 26 5 5 1 56 684

1 6058 IL 6 5 0 57 332

1 5837 4 7 2 1 58 209

1 5677 1 8 0 0 58 858

1 5553 3 7 4 0 59 375

1 5206 12 8 2 0 60 871

1 4912 1 6 5 1 62 202

1 4780 3 6 6 0 62 825

1 4680 12 8 3 0 63 300

1 4578 2 7 5 0 63 793

1 4509 3 7 4 1 64 134

1 4117 5 6 2 66 139

1 4018 1 8 4 0 66 665

1 3847 2 9 1 0 67 597

1 3787 3 8 3 1 67 931

1 3690 6 6 3 2 68 480

1 3298 7 5 5 2 70 795

1 3239 2 8 4 1 71 162

1 3095 1 9 1 1 72 067

1 3034 2 2 1 3 72 453

1 2886 1 7 6 1 73 421

1 2830 1 2 2 3 73 796

1 2735 2 9 4 0 74 442

1 2700 3 3 1 3 74 680

1 2668 2 7 7 0 74 900

73
Potassium Strontium Niobium Oxide, KSr2(Nb03)5

Synonym

Potassium strontium niobate

CAS registry no. 12358-94-0

Sample

The sample was made by heating KNbOs

SrCOg, and NbgOj at 850 °C for 18 hours,

at 1300 °C for 18 hours, and at 1340 °C for 20 hours.

Color

Colorless

Structure

Tetragonal, P4bm (100). Tungsten bronze

structure (Giess et al., 1969).

Crystallographic constants of this sample

a = 12.461(1) A

c = 3.9431(8)

c/a 0.3164

V = 612.27 A^

Density (calc) = 4.984 g/cm^

Figure of merit

F30 = 49.1(0.012,50)

Reference

Giess, E. A., Scott, B. A., Burns, G.,

O'Kane, D. F. , and Segmiiller, A. (1969).

J. Am. Ceram. Soc. 52, 276.

CuKa^ A = 1.540598 A; mean T = 26±2 °C Internal standards Si, SRM 640a

Fluorophlogopite , SRM 675

d(A) I hk£ 2e(°)

a = ±1

8 82 2 1 1 0 10 025

0 0

0z nU 1

5 578 2 2 1 0 15 876

3 .944M 34 0 0 1 22 527

3 944M 3 1 0 22 527

3 .602 4 1 1 1 24 700

-5 H J 0 J f 3 0z n 7^^

3 .219 43 2 1 1 27 687

3 116 12 4 0 0 28 627

3 023 52 4 1 0 29 521

2 .939M 25 2 2 1 30 392

2

•3 J

n\j 0 !7 Z

2 788M 100 3 1 1 32 077

2 788M 4 2 0 32 077

2 600 20 3 2 1 34 472

2 446M 2 4 0 1 36 711

4-9 446m J

11 n JO 711

2 399 1 4 1 1 37 454

2 356 2 3 3 1 38 176

2 315 3 5 2 0 38 875

2 202 1 4 4 0 40 960

0 i J / Q0 J % HZ Z J z

2 077M 3 5 1 1 43 539

2 077M 6 0 0 43 539

2 048 3 6 1 0 44 179

1 9709M 36 0 0 2 46 014

11 0 Z mw 1 A

1 9468 6 5 4 0 46 616

1 9229M 1 1 1 2 47 231

1 9229M 4 4 1 47 231

1 8786M 1 2 0 2 48 414

1 8786M 5 3 1 48 414

1 8576M 12 2 1 2 48 998

1 8576M 6 3 0 48 998

1 8375 8 6 0 1 49 568

1 7625 + 20 6 2 1 51 831

1 7625+ 5 5 0 51 831

1 7452 10 5 4 1 52 385

1 7288 IL 6 4 0 52 918

1 7127 6 3 2 2 53. 456

1. 6805 7 6 3 1 54. 563

1. 6656 1 4 0 2 55. 093

1 6513 12 4 1 2 55. 613

1. 6377 2 3 3 2 56. 116

1. 6090M 31 4 2 2 57. 206

74
Potass i urn Strontium Niobium Oxide, KSr.^CNbOa)^ - (continued)

o cl(A) rel

a = ±1

hk£ 2e(°)

1 . 6090M 5 5 1 57 . 206

1 .5961 IL 6 5 0 57.714

1 . 5698 1 7 2 1 58. 771

1 .5459N 2 4 3 2 59.774

1 .5459M 7 4 0 59. 774

1 .5350 IL 5 1 2 60 . 241

1 .5110M 6 7 3 1 61 . 299

1 .5110M 8 2 0 61 . 299

1 .5008 1 5 2 2 61 .764 1.4785 IL 6 5 1 62. 798

1 .4684 3 6 6 0 63 . 281

1 . 4583 4 8 3 0 63 . 768

1 . 4490M 3 5 3 2 64 . 229

1 .4490M 8 0 1 64.229

1 .4389 1 7 4 1 64.736

1 . 4298 IL 6 0 2 65 . 194

1 . 3935M 7 6 2 2 67.114

1 . 3935M 8 4 0 67.114

1 .3848 IL 5 4 2 67.594

1 .3758M IL 6 6 1 68.097

1 . 3758M 9 1 0 68 . 097

1.3677 4 8 3 1 68.556

1.3599 1 7 5 1 69.002

1 .3520M 4 6 3 2 69.468

1 .3520M 9 2 0 69.468

1 .3207 IL 8 5 0 71.358

1.3137+ 6 5 5 2 71.795

1.3137+ 8 4 1 71.795

75
Potassium Titanium Phosphate, KTi2(P04)3

Synonym

Potassium titanium orthophosphate

CAS registry no. 30622-41-4

Sample

The sample was made by heating a mixture of

KH2PO4, TiOg (anatase) and (NH4)2HP04 up to 1000 °C for 2 days.

Color

Colorless

Structure

Rhombohedral , R"'"'-. Isostructural with many

other similar double phosphates (Masse, 1970).

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.3582(5) A

c = 23.086(2) . ' /

c/a = 2.7621 - ' >

V = 1396.71 A^

Density (calc) = 2.995 g/cm^

Figure of merit

F30 = 83.0(0.0070,52)

Polymorphism

Masse et al. (1972) reported a cubic form of

KTi2(P04)3.

Additional pattern

PDF card 25-691 (Masse, 1970)

References

Masse, R. (1970). Bull. Soc. Fr. Mineral. ' Crystallogr. 93, 500.

Masse, R., Durif, A., Guitel, J.-C, and

Tordjman, I. (1972). Bull. Soc. Fr. Mineral.

Crystallogr. 95, 47.

CuKa^ A = 1.540598 A; mean T = 26±2 °C Internal standards S i SRM 640 a Fluorophlogopite

,

SRM 675

d(A) jrel hk£ 2e(°)

0 = ±2

6.131 8 0 1 2 14.435

4.514 9 1 0 4 19.653

4.178 42 1 1 Au 21 .248 3.846 1 0 0 0 23. 109

3 . 672 100 1 1 0 24.218

3.452 5 2 0 2 25.790

3.065 24 0 2 4 29. 110 2.830 80 1 1 0 31 .587

2. 716 11 2 1 Jl 32.951

2.681 5 0 1 Q0 33.398

2.662 6 1 2 2 33.643

2.4129 16 , 3 0 0 37.234

2.3541 2 1 2

cJ 38.200

2.2562 2 2 0

0 39.926

2. 1986 4 1 0 iU 41 .019

2. 1866 8 1 1 9 41.253

2. 1050 2 2 1 7 42.931

2.0438 11 3 0 D 44.284

2.0166 3 2 2

0D 44.912

1 .9850 6 1 2

00 45 .668

1.9468 2 0 2 10 46.616

1.9233 3 0 0 12 47.221

1 .8964 2 1 3 47.931

1 .8363 22 2 2 0 49.605

1 . 7880 1 0 4 51 .038

1.7642 8 2 1 10 51.779

1.7266 2 4 0 4 52.992

1 .7149 6 1 3 / 53.382

1 .6651 IL 1 2 i i 55.113

1 . 6481 6 3 1 Q0 55.728

1 .6202 1 2 2 9 56.774

1.6081 IL 0 1 14 57 . 243

1.5955 1 3 2 57 . 737 1.5797 11 4 1 0 58.369

1 . 5627 1 2 3 5 59 . 065

1.5474 2 4 1 3 59.711

1.5332 4 0 4 8 60.319

1.5150 6 1 3 10 61 . 123

1 . 5043 10 3 0 12 61.602

1 .5005 9 2 0 l^f 61.776

1 .4832 1 3 2 7 62.577

1 .4611 7 4 1 6 63.636

1 .4511 2 3 1 11 64.124

1.4442 1 1 1 15 64.466

1.4244 2 4 0 10 65.476

1 .4123 3 1 2 14 66. 108 1.4044 IL 0 5 4 66.528

1.3928 2 3 3 0 67.154

1.3708 IL 3 3 3 68.377
Potassium Zinc Phosphate, KZnP04

Synonym

Potassium zinc orthophosphate

CAS registry no. 13826-55-6

Sample

The sample was prepared by heating KH2PO4

and ZnO at 800 °C for 2 days. After grinding

and sieving, it was held at 800 °C overnight.

Color

Colorless

Structure

Hexagonal, P63/"" (Averbuch-Pouchot and

Durif, 1973).

Crystallographic constants of this sample

a = 18.1626(12) A

c = 8.5066(11)

c/a = 0.4684

Z = 24 V = 2430.20 a3

Density (calc) = 3.2702 g/cm^

Figure of merit

F30 = 57.4(0.0093,56)

Additional patterns

PDF card 20-1447 (Salutsky and Steiger, 1964) PDF card 20-1448 (Frazier et al., 1966) PDF card 25-1342 (Averbuch-Pouchot and Durif,

1973)

Barbou des Courieres and Simonot-Grange (1979)

Grins and Nygren (1982)

References

Averbuch-Pouchot, M. T. and Durif, A. (1973).

Mat. Res. Bull. 8, 353.

Barbou des Courieres, T. and Simonot-Grange,

M.-H. (1979). Mat. Res. Bull. 14, 1419.

Grins, J. and Nygren, M. (1982). Mat. Res. Bull.

17, 895.

Frazier, A. W. , Smith, J. P., and Lehr, J. R. (1966). J. Agric. Food Chem. 14, 522.

Salutsky, M. L. and Steiger, R. P. (1964). J. Agric. Food Chem. 12, 6.

0 CuKa, \

1 = 1.540598 A; temp

.

26±1 "C

0 Interna 1 s tanda rd Ag, a — A n 0 ^ t: 1 A

d(A) J re I hk£ 2e(°) a = ±3

9 . 08 IL 1

11 nu 9 . 738

6 . 203 13 1 1 1

1 / 0 £L Q

1 4 . zoo 4.537 16 2 2 0 1 9 . j4y

4.252 34 0 nu z9 20.873

4.004 19 2 z 1 22. 183

3 . 884 1 3

1i11 22.881

3 . 852 2 1 1 2 23.072

3 . 609 1 3 2 0 24.651

3.567 1 4 nu 1 24.941

3.436 1 4

1i AU 25.912

3 . 320 1 3

0z11 26 . 834

3 . 302 3 3 0 2 26 . 982

3.182 34 4 1 1 00 A 0 A 28 . 020

3. 103 100 2 z

0z 28.743

3.045 IL 3

1i 9z 29.303

2.972 3 4

0z. nw 30 . 040

0 OCT 2 . oD 1 2 3 3 1 31 . 349

0 0 0 A Z . OZH 2 5 1 0 3 1 . 660

2.750 1 3

0

L. 0z. 32.528

2.706 12 1

11 33.073

A .0 1 I

T T 4

11 0 33 . 522

Z . DZ i oU r0 0 0 34. 177

0 ceo z . d5o 1 2 1 3 35 . 047

2.518 2 5

0z. nu 35.626

2.505 11 6

1i 35.823

1

.

465 3 3 z9 36 . 422

z . 436 3 4 2 2 36 . 869

2 . 416 8 5 2 1 37.191

2.405 10 2 z9

-} 37.368

2.377 2 3 i 37.818

2 . 354 1 5 1 0z 38 . 202

2 . 309 IL 6 1 1 38 .972

2 . 299 1 4 0 3 39 . 153 2.2313M 2 6 u Z9 40.391

2.2313M 3 z9 0 40.391

2 . 2095 1 4 Z9 40 . 807

2 . 1932 9 4 4 1 41 . 125

2 . 1868 10 4 1 3 41 . 250

2. 1665 2 5

9z9z 41 .655

2. 1259 6 0

AU

A 42.488

0 11// 1 6 9z

1i 42 . 731

2 . 0696M 4 1

1i 43 . 702

2 . 0696M 3 3 3 43 . 702

2 . 0028+ 9 4 4 2 45 . 238

2.0028+ 2 1 4 45.238

1.9815 1 6 3 0 45.752

1.9705 2 3 0 4 46.023

1.9251M 4 2 2 4 47. 173 1.9251M 6 0 3 47. 173

1 .9112M 1 3 1 4 47.537

77
Potassium Zinc Phosphate, KZnP04 - (continued)

d(A) I hk£ 2e(°) a = ±3

1 9112M 4 3 3 47 537

1 8832 10 5 2 3 48 289

1 8705M 1 7 1 2 48 639

1 8705M 4 0 4 48 639

1 8162 1 5 5 0 50 191

1 8076 IL 4 1 4 50 445

1 8038 IL 6 4 0 50 561

1 7994 IL 8 1 1 50 693

1 7959 1 6 3 2 50 798

1 7759 3 5 5 1 51 411

1 7718 5 4 4 3 51 540

1 7603 1 5 3 3 51 900

1 7400 2 3 3 4 52 554

1 7286M 1 4 2 4 52 926

1 7286M 6 2 3 52 926

1 7160 2 8 2 0 53 345

1 7117 1 9 0 1 53 489

1 6822 10 8 2 1 54 504

1 6787 12 7 1 3 54 628

1 6510 3 6 0 4 55 622

1 6307 IL 7 4 0 56 376

1 6245M 1 5 2 4 56 610

1 6245M 6 3 3 56 610

1 6183M 1 6 5 1 56 846

1 6183M 3 0 5 56 846

1 6016 3 7 4 1 57 494

1 5978 3 8 3 0 57 647

1 5915M 14 8 2 2 57 896

1 5915M 6 1 4 57 896

1 5522 2 4 4 4 59 508

1 5443M 1 5 3 4 59 843

1 5443M 8 1 3 59 843

1 5297 2 5 5 3 60 470

1 5243M 7 9 2 1 60 710

1 5243M 4 1 5 60 710

1 5138 7 6 6 0 61 177

1 5019 1 7 3 3 61 712

1 4888 1 7 1 4 62 313

1 4836M 1 7 5 1 62 556

1 4836M 3 3 5 62 556

1 .4708 4 10 1 1 63 165

1 .4684 2 8 2 3 63 282

1 .4543 1 9 3 0 63 965

1 .4501 1 6 3 4 64 175

1 .4330 1 9 3 1 65 032

j.rel

a = ±3

hk£ 26(°)

1 . 4261M 3 6 6 2 65 . 386

1 . 4261M 7 2 4 65 . 386

1 .4183 1 0 0 6 65.794

1 .4141 2 7 4 3 66.010

1.4101M 4 1

1

0 1 66.222

1 .4101M 5 2 5 66.222

1 .3757+ 1 6 4 4 68. 102 1.3757+ 10 0 3 68. 102

1 .3610M 2 4 4 5 68.941

1 .3610M 7 3 4 68.941

1 .3504 1 9 0 4 69.558

78
Rubidium Hydrogen Phosphate, RbH2P04

Synonym

Rubidium dihydrogen orthophosphate

CAS registry no. 13774-16-8

Sample

The sample was made by adding Rb2C03 to an

857o solution of H3PO4 . The precipitate

was washed with alcohol.

Color

Colorless

Structure

Tetragonal, I42d (122). The structure was determined by Al-Karaghouli et al. (1978).

Isostructural with KH2PO4.

Crystallographic constants of this sample

a = 7.6080(3) A

c = 7.2979(6)

c/a = 0.9592

V = 422.42 A^

Density (calc) = 2.869 g/cm^

Figure of merit

F30 = 90.5(0.011 ,31)

Additional patterns

PDF card 30-1064 (Smith et al., 1979)

(calculated pattern)

Nirsha et al. (1981)

References

Al-Karaghouli, A. R., Abdul-Wahab, B.,

Ajaj, E., and Sequeira, A. (1978). Acta Crystallogr. B34, 1040.

Nirsha, B. M., Budinitsa, E. N., Efremov,

V. A., Zhadanov, B. V., Olikova, V. A., and

Fakeer, A. A. (1981). Russ. J. Inorg. Chem.

26, 1560.

Smith, D. E. (1979). Ann. Report to Joint

Committee on Powder Diffraction Standards.

CuKa^ A = 1.540598 A; mean T = 25.7 °C Internal standards Ag , a = 4.08651 A Fluorophlogopite , SRM 675

° rel d(A) r^'- hk£ 2e(°) a = ±1

5.262 2 10 1 16.837

3.803 100 2 0 0 23.375

3.083 15 2 11 28.934

3.020 67 112 29.555

2.689 24 2 2 0 33.292

0 d(A)

-rel

1 a = ±1

nkJi 9fl ^ 0 1( J

2.633 2 2 0 I

•5 /. ft

2 . 405 10 3 1 u 0 / . J J J 2.396 19 3 0 1 37.509

2.317 7 1 0 3 38.835

2 . 0265 15 3 2 1 44 . ooz

2 . 0090 45 3 1 2

/ r n Q '> 4d . UVz

1 .9790 8 2 1 3

A Q 0 1 Q 4D . 0 1 3

1 .9022 5 4 0 0 47.775

1 .8248 IL 0 0 4 49.938

1 . 7892 6 4 1 1 51.001

1 . 7009 12 2 0

1 . 6862 IL 4 0 2 54 . 3o5

1.6447 7 2 0 4 55.854

1.6100 10 3 3 2 57.170

1 . 5941 2 3 2 3 57 . 790

1.5411 IL 4 2 2 59 . 977

1 . 5095 6 2 2 4 61.367

1.4921 1 5 1 0 62. 160 1.4892 1 4 3 1 62.295

1 . 4702 IL 4 1 3 63.192

1 . 4532 IL 3 1 4 64.022

1 . 4331 4 1 0 5 65 . 029

1 .3870 2 5 2 1 bl .kll

1 .3807 9 5 1 2 61 .&20

1 . 345

1

4

/ 4 0 69.873

1 .3418 3 2 1 5 70.071

1 . 3166 7 4 0 4 / 1 . DlO

1.3049 IL 5 3 0 72.360

1 .2896 1 4 3 3 73.355

1 . 2680 2 0 0 0 74 . Blo

1 . 2441 7 4 2 4 76 . 506

1 . 2327 1 6 1 1 77 . 347 1.2284 7 5 3 2 77.669

1.2217 IL 5 2 3 78. 173

1 . 2029 4 6 2 0 79 . 637

1 . 2002 2 3 2 5 79 . 856

1 . 1976 IL 6 0 2 80 . 059

1. 1864 1 1 1 6 80.973

1.1730 IL 5 4 1 82.093

1 . 1447 IL 4 1 5 84 . 584

1 . 1 124 IL 6 1 3 87 . 647

1.0855 4 3 1 6 90.407

1 .0827 4 4 4 4 90. 711 1.0677 1 5 4 3 92.355

1 .0551 2 6 4 0 93.790

1 .0413 3 6 0 4 95.423

1.0344 IL 7 2 1 96.257

1.0321 4 5 5 2 96.550

1 .0279 1 6 3 3 97.075
Rubidium Phosphate, RbPOg

Synonym

Rubidium metaphosphate

Sample

The sample was prepared by heating RbH2P04

at 250 °C for 17 hours.

Color

Colorless

Structure

Monoclinic, P2i/n (14). The structure of

RbP03 was determined by Corbridge (1956)

and refined by Cruickshank (1964).

Crystallographic constants of this sample

a - 12.1221(14) A

b = 4.2307(5)

c = 6.4773(9)

P = 95.980(11)°

a/b = 2.8652

c/b - 1.5310

Z = 4 V = 330.38

Density (calc) = 3.306 g/cm^

Figure of merit

F30 = 123.3(0.0055,44)

Additional patterns

Majling et al. (1979) (calculated pattern)

Nirsha et al. (1981)

References

Corbridge, D. E. C. (1956). Acta Crystallogr.

9, 308.

Cruickshank, D. W. J. (1964). Acta Crystallogr.

17, 681.

Majling, J., Raninec, S., and Durovic, S. (1979)

Calculated Powder Diffraction Patterns for

Anhydrous Phosphates (VEDA, Bratislava,

Czechoslovakia)

Nirsha, B. M., Gudinitsa, E. N., Efremov,

V. A., Zhadanov, B. V., Olikova, V. A., and

Fakeev, A. A. (1981). Russ. J. Inorg. Chem.

26, 1560.

CuKa K = 1.540598 A mean T = 25.6 °C Internal standards w, a = 3. 16524

0A Fluorophlogopite

,

SRM 675

d(A) ^rel hk£ 2e(°) a = ±1

6.025 1 2 0 0 14.690

5.944 1 -1 0 1 14.891

3.994 8 1 1 0 22.241

3.582 31 -3 0 1 24.839

3.536 19 0 1 1 25. 164

0 d(A)

-j.rel

a = ±1

hk£ 2e(°)

3.463 68 2 1 0 25.704

3.447 50 -1 1 1 25.822

3 . 342 13 1 1 26 . 65

3.260 72 3 0 1 27.338

3.220 72 0 0 2 27.681

3. 129 100 -2 1 1 28.501

3.014 24 4 0 0 29.617

2 .976 55 2 1 1 30 . 003

2.914 10 3 1 0 30.657

2.5832 7 3 1 1 34.698

2.5623 8 0 1 2 34.991

2.4550 40 4 1 0 36.572

2 . 4326 37 -2 1 2 36 . 922

2. 3613 6 -4 1 1 38.079

2.3398 6 -5 0 1 38.443

2.3253 6 -4 0 2 38.692

2.2918 13 2 1 2 39.281

2 . 2325 3 4 1 1 40 . 369

2.0946M 26 5 1 0 43.155

2.0946M 4 0 2 43.155

2.0829 12 1 2 0 43.409

2.0773 11 1 0 3 43.533

2 . 0474 8 -5 1 1 44 . 202

2.0369 8 -4 1 2 44.442

2.0094M 28 0 2 1 45.083

2.0094M 6 0 0 45.083

1 .9958 1 2 2 0 45.406

1.9815 3 -3 0 3 45 . 753

1.9408 1 5 1 1 46.769

1.9253 3 -2 2 1 47.167

1 .9153 4 0 1 3 47.430

1 .8892 3 2 2 1 48. 125 1.8716 15 3 2 0 48 . 607

1.8340 1 -5 1 2 49.670

1.8157 5 6 1 0 50.206

1.7909M 9 -6 1 1 50.951

1 . 7909M -6 0 2 50.951

1 . 7779M 2 2 ]^ •J 5 1 350

1 . 7744M 1 3 2 1 51 .460

1 . 7637 IL -1 2 2 51.793

1.7351 2 1 2 2 52.712

1 . 7086 3 -7 0 1 53.595

1 .6976 4 -4 2 1 53.971

1 .6937 4 -5 0 3 54. 103 1.6874 6 5 1 2 54.323

1 .6706 4 2 2 2 54.915

80
Rubidium Strontium Niobium Oxide, RbSr^CNbOs)..;

Synonym

Rubidium strontium niobate

Sample

The sample was prepared by heating Rb2C03,

SrCOs, and NbgOs at 900 °C overnight,

followed by heating at 1275 °C overnight

with intermediate grindings.

Color

Colorless

Structure

Tetragonal, P4bm (100). Tungsten bronze

type (Giess et al., 1969).

Crystallographic constants of this sample

a = 12.5127(7) A

c = 3.9600(4)

c/a = 0.3165

V = 620.01

Density (calc) = 5.172 g/cm^

Figure of merit

F30 = 75.7(0.0076,52)

Reference

Giess, E. A., Scott, B. A., Burns, G.

,

O'Kane, D. F. , and Segmuller, A. (1969).

J. Am. Ceram. Soc. 52, 276.

CuKof A - 1.540598 A; mean T = 26±2 °C

^ o Internal standards Ag, a = 4.08651 A Fluorophlogopite , SRM 675

d(A) I hkS, 2e(°) a = ±1

8 86 1 1 1 0 9 971

6 263 3 2 0 0 14 129

3 961M 22 0 0 1 22 428

3 961M 3 1 0 22 428

3 616 3 1 1 1 24 601

3 472 29 3 2 0 25 638

3 346 1 2 0 1 26 620

3 233 51 2 1 1 27 564

3 129 8 4 0 0 28 506

3 036 54 4 1 0 29 400

2 951 26 2 2 1 30 260

2 799M 100 3 1 1 31 952

2 799M 4 2 0 31 952

2 610 17 3 2 1 34 327

2 455 2 4 0 1 36 574

d(A)

jrel

0 = ±1

hk£ 2e(°)

2 . 4097 1 4 1 1 37.285

2 . 3233 5 5 2 0 38. 727 2.2846 1 4 2 1 39 .409 2.2110 1 4 4 0 40. 779

2. 1461 10 5 3 0 42.069

2.0851 3 6 0 0 43.361

1 .9796 33 0 0 2 45.799

1.9538 2 5 4 0 46.440

1 .9314 2 4 4 1 47 .009

1 .8867 3 5 3 1 48. 193

1 .8653 10 6 3 0 48.781

1 .8455 8 6 0 1 49.340

1 .7696M 20 6 2 1 51 .609

1 . 7696M 5 5 0 51 .609

1 . 7524 11 5 4 1 52. 154

1.7197 6 3 2 2 53.223

1 .6874 7 6 3 1 54.323

1 .6729 2 4 0 2 54.834

1 .6583 14 4 1 2 55.356

1 .6433 3 7 3 0 55.906

1 .6158 29 5 5 1 56.943

1 .5766 2 7 2 1 58.495

1 .5520 2 7 4 0 59.516

1 .5415 IL 5 1 2 59.961

1 .5173 6 8 2 0 61 .018

1 .5069 1 5 2 2 61 .486

1 .4849 1 6 5 1 62.500

1 .4750M 3 4 4 2 62.967

1 .4750M 6 6 0 62.967

1 .4646 5 8 3 0 63.465

1 .4551 5 5 3 2 63.925

1 .4452 1 7 4 1 64.420

1.4359 IL 6 0 2 64.883

1.3994M 5 6 2 2 66.797

1 . 3994M 8 4 0 66.797

1 . 3907 1 5 4 2 67.272

1 .3736 4 8 3 1 68.219

1.3654 2 7 5 1 68.685

5 6 3 2 69.133

1.3263 1 8 5 0 71 .015

1.3194M 7 7 1 2 71.441

1.3194M 8 4 1 71.441

1.2846 2 2 1 3 73.689

1.2705 2 9 4 0 74.645

1.2646 3 7 3 2 75.051

81
Sodium Antimony Fluoride, NaSbF4

Synonyms

Sodium f luoantimonite

Sodium antimony tetraf luoride

Sample

The sample was from Harshaw Chemical Co.,

Cleveland, Ohio. There were a number of

impurity lines, the strongest being at d = 3.20, 4.91, and 4.20 with relative intensities of 5, 6, and 12, respectively. Because of the impurity, the intensities

may be somewhat in error.

Color

Colorless

Optical data

Biaxial (-) N = 1.475, N„ = 1.521, N =

1.540. 2V is about 75° (Bystrom et al.,

1953)

Structure

Monoclinic, ?2i (4). The structure of

NaSbF4 was determined by Bystrom et al. (1953). The authors gave the space group

as P2i or P2i/a. P2i indexed our data more completely than P2i/a.

Crystallographic constants of this sample

a = 8.5749(12) A

b = 5.5299(10)

c = 8.0703(9)

P = 94.089(14)°

Z = 4 V = 381.71 a3

Density (calc) = 3.841 g/cm^

Figure of merit

F30 = 68.2(0.0088,50)

Reference

Bystrom, A., Backlund, S., and Wilhelmi,

K.-A. (1953) . Ark. Kemi 6, 77.

CuKOj k = 1.540598 A; mean T = 26.5 °C Internal standard Si, SRM 640a

d(A) I hk£ 2e(°) a = ±3

8 05 22 0 0 1 10 983

4 643 21 \ \ 0 19 100

4 554 93 0 \ 1 19 475

4 273 19 2 0 0 20 771

4 092 8 -

1

1 1 21 702

4 022 59 0 0 2 22 083

3 959 2 \ 22 440

3 890 23 -2 0 1 22 840

3 669 47 2 0 1 24 239

3 381 100 2 1 0 26 338

3 254 94 0 1 2 27 383

3 184 16 -2 1 1 28 004

3 041 21 ~2 0 2 29 345

2 985 3 1 1 2 29 907

2 832 9 2 0 2 31 571

2 765 10 0 2 0 32 349

2 747 3 -3 0 1 32 573

2 684 9 0 0 3 33 361

2 666 3 -2 1 2 33 590

2 631M 6 1 2 0 34 049

2 631M 3 0 1 34 049

2 520 18 2 1 2 35 595

2 415 2 0 1 3 37 201

2 375 10 3 1 1 37 856

2 363 8

- \ 1 3 38 052

2 349 5 -2 0 3 38 280

2 285 5 1 3 39 398

2 2790 6 0 2 2 39 510

2 2545 17 -2 2 1 39 957

2 9 9 A

1

1 Ki J_ ]^ 2 2 40 528

o 1 n _Q 2 40 808

9 9 9 40 808

2 1629 20 -2 1 3 41 726

2 1388 20 4 0 0 42 219

9 WHO OH 0£^ 44 227

0 -0 9 2 44 227

1 J u n0

A n 1 s

X QQm ^;D Au

A 3 JO

1 9779 15 2 2 2 45 841

1 9669 10 -4 1 1 46 111

1 9256 9 0 2 3 47 161

1 9067 9 4 1 1 47 655

1 8916 22 0 1 4 48 062

1 8731M 5 -1 1 4 48 565

1 8731M -2 0 4 48 565

1 8585 3 1 2 3 48 973

1 8360 21 -4 1 2 49 614

1 8164 3 -3 2 2 50 184

1 7955 3 0 3 1 50 809

1 7741 17 -2 1 4 51 466

82
Sodium Barium Niobium Oxide, NaBa2(Nb03)5

Synonym

B-S-N

Sample

The sample was obtained from Johnson Matthey

Chemicals Limited, Royston, Hertfordshire, UK.

Chemical analysis

Analysis given by the manufacturer: parts

per million Mg-10, Ca-2, Al, Fe , Si, and

Ag - less than 1

.

Structure

Tetragonal. Bobb et al. (1969) reported

this phase as orthorhombic (Ccc2), with a and b very nearly equal. Our sample showed

no definitive departure from tetragonal. It

is a distorted tungsten bronze structure with

the c axis doubled. Barns (1968) reported the

phase as orthorhombic, with a and b equal.

Crystal lographic constants of this sample

a = 17.609(2) A

c = 7.987(2)

c/a = 0.4536

V ^ 2476.58 A^

Density (calc) = 5.376 g/cm^

Figure of merit

F30 = 20.0(0.0094,160)

Polymorphism

Above '^290 °C this composition is truly

tetragonal (Abell et al., 1973).

Additional patterns

PDF card 27-1408 (Abell et al., 1973) PDF card 27-1409 (Cook, W. , Priv. Com.) PDF card 23-654 (Barns, 1968)

References

Abell, J. S., Harris, I. R., and Cockayne,

B. (1973). J. Mater. Sci. 8, 667.

Barns, R. L. (1968). J. Appl. Crystallogr.

1, 290.

Bobb, L. C, Lefkowitz, I., and Muldauer, L. (1969). J. Appl. Crystallogr. 2, 189.

CuKa^ A = 1.540598 A; mean T = 25.8 °C Internal standards Si, SRM 640a

Fluorophl ogopi te , SRM 675

d(A) hkZ 2e(°) a = ±2

8

.

81 IL 2 0 0 10

.

034

6. 229 2 2 2 0 14 208

5 573 6 3 1 0 15 891

3 994 19 0 0 2 22 241

3 939 11 4 2 0 22 555

3 454 32 5 1 0 25 775

3 361 15 2 2 2 26 498

3 245 89 3 1 2 27 466

3 113 4 4 4 0 28 653

3 020 100 5 3 0 29 556

2 957 23 4 0 2 30 195

2 933 26 6 0 0 30 452

2 897 3 6 1 0 30 839

2 804 87 4 2 2 31 894

2 612 23 5 1 2 34 305

2 455 9 4 4 2 36 566

2 410 2 5 3 2 37 288

2 363 4 6 0 2 38 052

2 313 8 7 3 0 38 908

2 1363 13 8 2 0 42 272

2 0752 4 6 6 0 43 579

2 0471 IL 7 5 0 44 208

1 9955 2 8 3 1 45 414

1 9687 27 8 4 0 46 068

1 9451 IL 9 1 0 46 660

1 8806 3 3 ] 4 48 360

1 8554 11 9 3 0 49 059

1 8417 11 6 6 2 49 450

1 7802 1 4 2 4 51 279

1 7606 32 8 6 0 51 892

1 7464 18 7 3 3 52 346

1 7259 5 10 2 0 53 016

1 7093 2 9 5 0 53 570

1 .6811 10 4 4 4 54 543

1 .6654M 21 8 2 3 55 100

1 .6654M 5 3 4 55 100

1 .6515 6 6 0 4 55 606

1 . 6228M 7 7 5 3 56 675

1 .6228M 6 2 4 56 675

1 .6108 18 8 6 2 57 138

1 .5952 IL 9 6 1 57 746

1 .5833 1 8 4 3 58 224

1 .5724M 4 9 5 2 58 666

1 .5724N 2 0 5 58 666

1 .5565 2 8 8 0 59 324

83
Sodium Germanium Phosphate, NaGe2(P04)3

Synonym

Sodium germanium orthophosphate

CAS registry no. 22239-25-4

Sample

The sample was made by heating a 1:4:6 molar

mixture of NagCOg, GeOg , and (NH4)2HP04 up to 500 °C. Then it was reground and heated at 1050 °C overnight.

Color

Colorless

Structure

Rhombohedral , R . This phase was reported

to be isostructural with NaZr2(P04)3 in

space group R3c (Hagman and Kierkegaard,

1968). However several lines could not be

indexed on that space group.

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.0894(6) A

"

c = 21.522(3)

c/a = 2.6605

V = 1219.68 a3

Density (calc) = 3.701 g/cm^

Figure of merit

F30 = 62.9(0.010,46)

Additional pattern

PDF card 22-1219 (Hagman and Kierkegaard,

1968)

Reference

Hagman, L.-O. and Kierkegaard, P. (1968). Acta Chem. Scand. 22, 1822.

CuKa^ A = 1.540598 A; temp. 26±1 °C Internal standard Si, SRM 640a

d(A) l"*"^ hk£ 2e(°) a = ±1

5 869 25 0 1 2 15 083

4 265 68 1 0 4 20 809

4 044 83 1 1 0 21 960

3 524 100 1 1 3 25 255

3 326 1 2 0 2 26 784

2 936 57 0 2 4 30 418

2 717 IL 2 0 5 32 946

2 684 88 1 1 6 33 357

2 629 15 2 1 1 34 082

2 570 2 , 1 2 2 34 882

2 511 4 0 1 8 35 732

2 375 11 2 1 4 37 844

2 336 29 3 0 0 38 508

2 311 1 0 2 7 38 938

2 221 7 3 0 3 40 590

2 1331 5 2 0 8 42 337

2 0587M 8 1 1 9 43 946

2 0587M 1 0 10 43 946

2 0215 4 2 2 0 44 797

2 0073 3 2 1 7 45 133

1 9573 10 3 0 6 46 352

1 9133 3 3 1 2 47 483

1 8868 16 1 2 8 48 190

1 8335 9 0 2 10 49 685

1 8273 11 1 3 4 49 864

1 7941 3 0 0 12 50 854

1 7617 26 2 2 6 51 858

1 7286 3 0 4 2 52 925

1 6698 17 2 1 10 54 943

1 6424 4 1 3 7 55 941

1 6027 1 3 2 1 57 452

1 5749 10 3 1 8 58 562

1 5399 10 3 2 4 60 030

1 5287 16 4 1 0 60 515

1 5062 5 2 3 5 61 515

1 5018 4 0 1 14 61 716

1 4953 1 4 1 3 62 017

1 4674 5 0 4 8 63 327

1 4421 12 1 3 10 64 572

1 4240 4 3 2 7 65 496

1 4219 1 3 0 12 65 602

1 4063 15 4 1 6 66 427

1 3797 2 2 3 8 67 875

1 3586 6 4 0 10 69 081

1 3554 5 0 5 4 69 266

84
Sodium Germanium Phosphate, NaGe2(P04)3 - (continued)

o d(A)

rel

I a = ±1

2H ( )

1.3525 5 1 1 15 69.436

1.3480 8 3 3 0 69.699

1 .3293 6 1 2 14 70.826

1 .3213 IL 2 4 1 71.319

1 .2880 4 4 1 9 73.463

1 .2657 IL 4 2 5 74.975

85
Sodium Iron Silicate (Acmite), NaFe(Si03)2

Synonyms

Sodium iron metasilicate

Aegirine

Aegirite

CAS registry no. 14483-20-6

Sample

The sample was made by heating Na2C03, Fe203,

and Si02 for about 10 days at temperatures up

to 950 °C. The sample contained a small amount

of FegOg.

Color

Deep brown

Structure

Monoclinic, I2/a (15). Clinopyroxene type

(Nolan and Edgar, 1963) (Frondel and Klein,

1965). The structure of acmite was determined by Clark et al. (1969).

Crystallographic constants of this sample

a = 9.5277(14) A

b = 8.8067(14)

c = 5.287(1)

p ^ 104.686(13)°

a/b = 1.0819

c/b = 0.6003

V = 429.13 A^

Density (calc) - 3.576 g/cm'^

Figure of merit

F30 = 53.3(0.011,51)

Additional patterns

PDF card 18-1222 (Frondel and Klein, 1965)

Nat. Min. PDF card 31-1309 (Nickel and Mark, 1965) Nat. Min.

Borg and Smith (1969) Brown (1982)

References

Borg, I. Y. and Smith, D. K. (1969).

Geological Society of America Inc., Memoir

122, Boulder, CO.

Brown, I. W. (1982). J. Non Cryst. Solids

50, 233.

Clark, J., Appleman, D. E., and Papike, J. J. (1969). Contrib. Mineral. Petrol., 20, 81.,

Frondel, C. and Klein, C. (1965). Science

(Washington, D.C.), 149, 742.

Nickel, E. H. and Mark, E. (1965). Can. Mineral.

8, 185.

Nolan, J. and Edgar, A. D. (1963). Mineral. Mag.

J. Mineral. Soc. 33, 634.

0 CuKa^ k = 1 .540598 A; mean T = 25 7 °C Internal standards Si SRM 640a

Fluorophlogopite

,

SRM 675

0 d(A) J rel

2e(°)

a = ±2

6.37 21 1 1 0 13.887

4.609 1 2 U U 19.242

4.423 29 0 1 1 20 .058 3.613 9 -2 1 1 24.620

3. 185 6 2 2 0 27 .994

2.985 100 1 2 1 29.914

2 . 901 50 3 i u 30.799

2 . 798 1 1 3 0 31 .965

2 .546 28 0 3 1 35 .228 2.523 45 -2 0 2 35.550

2.473 37 -3 2 1 36.303

2.256 3 -4 1i

1i 39.926

2.212 8 0 2 2 40. 767

2. 196 20 -3 1 2 41 .061

2. 190 7 -2 2 2 41 . 185

2. 118 20 2 3 1 42.650

2.094 12 3

1i 43 . 160 2.0294 10 2 0 2 44.613

2.0186 10 -1 4 1 44.865

1.9796 7 -4 0 2 45.800

1 .9341 5 1 4 1 46 . 940

1 . 8807 2 4

1111 48.357

1 . 8262 2 -4 3 1 49.897

1 . 8045M 1 -4 2 2 50.538

1.8045M 5 1 0 50.538

1.7732 1 -3 4 1 51 .497

1i . 7 /. m

/

HVO z

_ cJ z 52.542

1.7303 9 1 5 0 52.870

1.7244 7 3 1 2 53.066

1 .6829 2 -5 1 2 54.481

1.6588 4 -2 4 2 55.339

1 .6327 11 -1 2 3 56.301

1 .6104 12 4 3 1 57. 151 1.5915 6 4 4 0 57.893

1.5362 7 6 0 0 60. 191

1.5295 9 4 0 2 60.479

86
Sodium Molybdenum Oxide Hydrate, Na2Mo04-2H20

Synonym

Sodium molybdate hydrate

CAS registry no. 10102-40-6

Sample

The sample was obtained from the General

Chemical Division of Allied Chemical,

Morristown, NJ

.

Color

Colorless

Structure

Orthorhombic , Pcab (61) (Pistorius, 1960).

The structure of Na2Mo04*2H20 was determined by Matsumato et al. (1975).

Crystallographic constants of this sample

a = 10.566(2) A

b = 13.842(2)

c = 8.4823(15)

a/b = 0.7633

c/b = 0.6128

V = 1240.65 a3

Density (calc) 2.591 g/cm^

Figure of merit

F30 = 44.4(0.012,59)

Additional pattern

PDF card 13-236 (Pistorius, 1960)

References

Matsumato, K., Kobayashi, A., and Sasaki, Y. (1975). Bull. Chem. Soc. Jpn. 48, 1009.

Pistorius, C. W. F. T. (1960). Z. Kristallogr.

114 , 154.

CuKa \ = 1.540598 A; mean T = 23.3 °C

1 o Internal standards W, a = 3.16524 A Fluorophlogopite , SRM 675

d(A) l''^^ hk£ 2e(°)

a = ±4

6 92 100 0 2 0 12 775

5 973 1

0

1 1 ] 14 820

5 285 10 2 0 0 16 761

4 785 8 1 2 1 18 528

4 262 17 2 1 1 20 824

4 244 32 0 0 2 20 917

4 202 0 / 34 2 2 0 2

1

IOC 125

3 783M 11 1 1 2 23 497

3 783M 1 3 1 23 497

3 615 45 0 2 2 24 607

3 462 7 0 4 0 25 712

3 /on 4/ 1

/- D 1 2 2 ZD 022

3 309 41 2 0 2 26 920

3 215M 14 2 1 2 27 726

3 215M 2 3 1 27 726

3 168 63 3 1 1 28 149

3 064 31 1 4 1 29 125

2 994 18 1 3 2 29 820

2 983 42 2 2 2 29 927

2 895 15 2 4 0 30 866

2 740 7 2 4 1 32 656

2 679M 25 0 4 2 33 418

2 679M 1 1 3 33 418

2 660M 14 3 1 2 33 669

2 660M 3 3 1 33 669

2 598 7 1 4 2 34 495

2 553 1 1 5 1 35 120

2 453 5 2 1 3 36 611

2 390 4 2 4 2 37 607

2 356 7 2 5 1 38 165

2 349 7 1 3 3 38 284

2 308 1 0 6 0 38 991

2 265 1 1 5 2 39 772

2 214M 1 4 1 2 40 730

2 214M 4 3 1 40 730

2 177M 16 1 6 1 41 445

2 177M 3 1 3 41 445

2 144 2 1 4 3 42 119

2 121 4 0 0 4 42 591

2 114 6 2 6 0 42 738

2 108 2 3 5 1 42 867

2 102M 1 3 2 3 43 003

2 102M 4 4 0 43 003

2 0514 1 2 6 1 44 110

2 0382 7 4 4 1 44 412

87
Sodium Molybdenum Oxide Hydrate, Na2Mo04-2H2 0 - (continued)

d(A) a = ±4hk£ 2e(°)

2.0294 17 5 1 1 44.613

1 .9908M 1

1

1 2 4 45.528

1 .9908M 1 6 2 45.528

1 Q Aft 7 oJ9 u

AH /.A n A

7

1 .8927M 12 2 2 4 48.032

1 .8927M 2 6 2 48.032

1 .8810M 7 3 6 1 48.348

1 .8810M 4 4 2 48.348

1 ft 7 A 7 M Q J

11 Z9 Aft R 9 '5

1 .8747M 5 3 1 48.523

1 .8597M 1 3 4 3 48.940

1 .8597M 4 2 3 48.940

1 .8525 1 2 5 3 49. 140

1 ftnft 1 i . oUo 1 4 n A A

1 .8033 2 5 4 0 50.574

1 . 7809 5 4 3 3 51.257

1 . 7619M 6 1 6 3 51 .851

1 . 7619M 6 0 0 51 .851

1 . / H Z. U

A i; 9z

c 9 A 7n

1 . 7240M 3 3 5 3 53.077

1 . 7240M 6 0 1 53.077

1.7104M 3 6 1 1 53.533

1.7104M 2 4 4 53.533

0 9z^,oQ

•J J 4 - U OO

1 .6798 13 5 1 3 54.588

1 .6728 12 6 2 1 54.835

1 .6634M 1 1 1 5 55. 172

1 .6634M 1 5 4 55. 172 1.6479 2 5 5 1 55.738

1 .6436M 1 2 8 0 55.896

1 .6436M 5 2 3 55.896

88
Sodium Strontium Niobium Oxide, NaSr2(Nb03)5

Synonym

Sodium strontium niobate

Sample

The sample was made by heating NaNb03 , SrC03,

and NbgOs up to 1300 °C for about 48 hours,

with intermediate grindings.

Color

Colorless

Structure

Tetragonal. Tungsten bronze structure (Morin,

1973). This phase has been reported as orthorhombic (Giess et al., 1969) but this

work found no evidence for symmetry lower than

tetragonal. This phase occurs in the region

of the NaNb03-SrNb206 system from 65 to 79%

SrNb206 and changes cell size little over the

region (Morin, 1973).

Crystallographic constants of this sample

a = 12.3562(9) A

c = 3.8979(6)

c/a = 0.3155

V - 595. 11 Density (calc) = 5.038 g/cm^

Figure of merit

F30 = 57.3(0.011,50)

Polymorphism

Van Uitert (1968) reports that NaSrgNbsOjs

is stable as tetragonal only above 184 °C.

Additional pattern

PDF card 27-787 (Morin, Priv. Comm., 1974).

The composition given was Nao . ig^ro . 4 iNbOs

.

References

Giess, E. A., Scott, B. A., Burns, G., O'Kane,

D. F., and Segmiiller, A. (1969). J. Am. Ceram. Soc. 52, 276.

Morin, D. , Colin, J. -P., LeRoux, G.,

Pateau, L., and Toledano, J.-C. (1973). Mater. Res. Bull. 8, 1189.

Van Uitert, L. G. , Levinstein, H. J.,

Rubin, J. J., Capio, C. D. , Dearborn,

E. F., and Bonner, W. A. (1968). Mater.

Res. Bull. 3, 47.

0 CuKa \ = 1.540598 A; mean T = 26 1 "C Internal standard Si , SRM 640a

0 d(A) J rel

hkje 2e(°)

0 = ±4

6. 184 1 2 0 0 14.312

5.526 1 2 1 0 16 . 025

4 369 \ 2 2 0 20.312

3 . 899 45 0 0 1 22 . 789

3 . 556 2 ] 1 I 25.022

3.426 32 3 2 0 25 . 989

3.297 2 2 0 1 27 . 025

3 . 185 47 2 ] 27 . 992

3 . 088 8 4 0 0 28 . 887

2 . 996 62 4 1 0 29.795

2.909 23 2 2 1 30. 711 2.760 100 3 1 1 32.414

2 .574 25 3 2 1 34.831

2 . 421 5 4 0 1 37.101

2 . 376 2 4 1 1 37.841

2.295 4 5 2 0 39 . 232

2.255 2 4 2 1 39 . 952

2 . 185 IL 4 4 0 41 . 287

2 . 1 186 7 5 3 0 42 . 641

2 . 059 IM 1 6 0 0 43.936

2.0591M 5 1 1 43 . 936

2.0312 2 6 1 0 44 .572

1 . 9774 1 5 2 1 45 . 854

1 . 9546 9 6 2 0 46 . 419

1 . 9491 23 0 0 2 46.558

1 .9314 1 5 4 0 47 . 01

1

1 .9064 1 4 4 1 47 . 664

1 . 8608 2 5 3 ] 48 .908

1 . 8421 12 6 3 0 49 . 437

1 . 8206 9 6 0 I 50.060

1 . 7606 4 3 0 2 5 1 . 890

1.7470M 33 5 5 0 52 . 326

1.7470M 6 2 1 52 . 326

1.7295 12 5 4 1 52 . 896

1.6943 8 3 2 2 54 . 085

1.6656 9 6 3 1 55.095

1.6479 2 4 0 2 55.736

1.6336 17 4 1 2 56.268

1.6197 3 3 3 2 56.794

1.6080 4 7 0 1 57.246

89
Sodium Strontium Niobium Oxide, NaSr2(Nb03)5 - (continued)

d(A)

- rel

a = ±4

hk£ 2e(°)

1 5943 37 5 5 1 57 783

1 5560 2 7 2 1 59 345

1 5450 1 8 0 0 59 810

1 5324 1 7 4 0 60 355

1 4983M 5 8 2 0 61 875

1 4983M 7 3 1 61 875

1 4856 1 5 2 2 62 464

1 4657 IL 6 5 1 63 410

1 4558 1 6 6 0 63 892

1 4548 1 4 4 2 63 942

1 4464 2 8 3 0 64 355

1 4344 3 5 3 2 64 961

1 3983 1 8 2 1 66 854

1 3796 4 6 2 2 67 884

1 3714 1 5 4 2 68 346

1 3638 IL 6 6 1 68 777

1 3554 3 8 3 1 69 266

1 3482 IL 7 5 1 69 688

1 3387 4 6 3 2 70 256

90
strontium Aluminum Oxide, SrAl20^

Synonym

Strontium aliiminate

CAS registry no. 12004-37-4

Sample

One mole of SrCOs was reacted with two moles of A1(0H)3 by heating from 500° to 1000 °C where it was held for 3 hours, then

at 1500 °C for 40 hours. The sample was ground and heated at 550 °C for 7 hours.

Color

Colorless

Structure

Monoclinic, P"/""- The cell was found by

use of the Visser program. A unit cell

given by Ito et al. (1977) was that of a supercell with four times the volume

of the Visser cell.

Crystallographic constants of this sample

a = 8.4424(8) A

b = 8.8221(10)

c = 5.1607(6)

p = 93.415(6)°

a/b = 0.9570

c/b = 0.5850

V = 383.68 A3

Density (calc) = 3.559 g/cm^

Figures of merit

F30 = 83. 1(0.0071 ,51)

M20 = ^7.6

Polymorphism

There is a hexagonal phase formed above

650 °C (Ito et al. , 1977)

Additional pattern

PDF card 9-39 (Carlson, 1955)

References

Carlson, E. (1955). J. Res. Natl.

Bur. Stand. 54, 332.

Ito, S., Banno, S., Suzuki, K., and

Inagaki, M. (1977). Z. Phys . Chem.

Wiesbaden 105, 173.

0 CuKa J A = 1.540598 A; temp

.

26±1 °C Interna 1 standa rd Ag, a = 4

0 08651 A

0 -rel

1 hk£ 9ft C ° 1

u — ±j

6.094 9 1 1 0 14.523

5. 153 5 0 0 1 17. 195 4.447 52 0 1 1 19.952

4.413 27 0 2 0 20. 104

J J 1 ] 1 zz0 0 . ^1 nouz

3.907 19 1 2 0 22.741

3.852 12 1 1 1 23.069

3.802 4 2 1 0 23.377

3.351 3 0 2 1 26.580

1 no z. 1 1 Z9R0 . J'^Rl 0 /

3.048 91 2 2 0 29.276

2.984 76 2 1 1 29.923

2.675 3 3 1 0 33.466

2.575 33 0 0 2 34.807

Z. . DD JO 0 y nu 3 1

2.5057 2 -1 0 2 35.807

2.4633 13 -1 3 1 36.445

2.4324 12 -3 1 1 36.925

2.4246 16 1 3 1 37.048

2 4094 _ 1 1 2 0 7 9Q 1

/ . Z 7 1

2.3685 4 3 2 0 37.959

2.3366 4 1 1 2 38.497

2.3214 4 3 1 1 38. 759 2.2577 4 -2 0 2 39.898

2 2241 1 R 1 J 2 2 HU . J Z /

2.2130 16 -2 3 1 40. 739 2.2062 14 0 4 0 40.871

2. 1957 13 -3 2 1 41 .076

2. 1563 14 2 3 1 41.861

9Z . 11 4 1 ^ 1 J 7 z 0 2 A9HZ . 1i AAD»4

2. 1068 21 4 0 0 42.893

2.0818 IL 2 1 2 43.432

2.0500 IL 4 1 0 44. 142 2.0307 5 3 3 0 44.584

2.0102 9 -2 2 2 45.063

1.9922 2 -4 0 1 45.494

1.9811 2 -1 4 1 45.763

1 .9541 17 2 4 0 46.432

1.9439 6 -4 1 1 46.689

1 .9380 5 0 3 2 46.840

1 9261 23 2 2 2 47 146

1 9111 6 -3 1 2 47 539

1 9014 7 4 2 0 47 798

1 8676 12 4 1 1 48 718

1 8450 2 3 0 2 49 356

91
strontium Aluminum Oxide, SrAl204 - (continued)

o d(A)

^rei

a = ±3

2e(°)

1.8155 3 -4 2 1 50.211

1.7891 3 -3 2 2 51.004

1 . 7344 4 3 4 0 52.736

1 . 7013 3 3 2 2 53.845

1 .6804 5 -4 0 2 54.567

1 .6757 5 0 4 2 54.734

1 .6688 6 0 5 1 54.978

1 . 6557 7 5 1 0 55 . 450

1.6505 6 -4 1 2 55.640

1 .6293 8 -3 3 2 56.428

1 .6021 11 4 3 1 57.477

1 .5975 10 -2 1 3 57.657

1 . 5884 4 -

1

2 3 58.018

1 .5851 6 4 0 2 58. 152

1 .5780 6 -2 4 2 58.439

1 .5741 6 5 0 1 58.595

1.5704 6 -4 2 2 58. 747

1 . 5623 8 -2 5 59 . 082

1 .5496 2 5 1 1 59.615

1 .5417 7 2 5 1 59.954

1 .5343 12 2 1 3 60.270

1 .5234 5 4 4 0 60. 750

1 . 5055 2 -3 0 3 61 . 550

1.4913 4 4 2 2 62. 197

1 .4825 13 5 2 1 62.610

^ Zl7q 1 QO -L L 1i A 9 7 7 0

1 .4706 9 0 6 0 63. 177

1 .4589 3 -4 3 2 63. 742

1 .4315 3 -5 1 2 65 . 110

1 .4143 3 0 6 1 66.000

1 .4100 3 3 1 3 66 . 230

1 .4044 5 6 0 0 66.525

92
strontium Silicate, u-SrSiO.-,

Synonym

Strontium metasilicate

CAS registry no. 12712-63-9

Sample

The sample was made by heating a mixture of

SrCOs and amorphous Si02 for 21 hours at 1400 °C, followed by grinding and heating

about 5 days at 1300 °C.

Color

Colorless

Structure

Monoclinic, C2 (5). The structure of

a-SrSiOs was determined by Machida et al. (1982). This phase was earlier indexed as hexagonal

.

Crystallographic constants of this sample

a = 12 340(3) A

b = 7 136(2)

c = 10 880(3)

P = 111 51(3)°

a/b - 1 7293

c/b = 1 5247

Z = 12 V = 891 35 A3

Density (calc) =

Figure of merit

F30 = 16.7(0.015,117)

Polymorphism

There are 2 high pressure forms reported by

Shimizu et al. (1970)

.

Additional patterns

PDF card 30-1302 (Shimizu et al., 1970) PDF card 32-1258 (Moir et al., 1975).

References

Machida, K. , Adachi, G. , Shiokawa, J.,

Shimada, M., and Koizumi, M. (1982). Acta Crystallogr. B38, 386.

Moir, G. K., Gand, J. A., and Glasser, F. P. (1975). Z. Kristallogr. , 141, 437.

Shimizu, Y. , Syono , Y. , and Akimoto, S. (1970). High Temp. High Pressures 2, 113.

CuKcfj \ = 1.540598 A; mean T = 25.2 °C Internal standards Si, SRM 640a

Fluorophlogopite, SRM 675

d(A) r*""^ hk£ 2e(°) O = ±2

6 05 IL 1 1 0 14 624

5 73 IL 2 0 0 15 457

5 056 17 0 0 2 17 527

4 803 IL 1 1 1 18 456

4 755 1 -2 0 2 18 647

4 320 1 -1 1 2 20 541

3 566M 66 0 2 0 24 95

1

3 566M -3 1 1 24 951

3 365 30 0 2 1 26 466

3 254 1 2 0 2 27 389

3 225 IL -1 1 3 27 639

2 928 50 3 ] 1 30 510

2 917 100 0 2 2 30 627

2 760 1 2 2 1 32 409

2 531+ 21 2 0 3 35 437

2 531 + 0 0 4 35 437

2 514 9 -

1

1 4 35 692

2 462 1 3 1 2 36 463

2 452 1 0 2 3 36 621

2 324 1 -5 1 2 38 715

2 185 IL 5 1 0 41 287

2 073 27 3 1 3 43 629

2 060 75 -3 3 1 43 906

1 914 18 6 0 0 47 453

1 909 22 3 3 1 47 593

1 897 3 -6 0 4 47 913

1 854 IL 1 3 3 49 092

1 808 IL -2 0 6 50 430

1 7837 10 0 4 0 51 169

1 7579 2 -6 2 1 51 976

1 7525+ 2 -3 3 4 52 151

1 7525+ -3 1 6 52 151

1 6858M 9 0 0 6 54 378

1 6858M 6 2 0 54 378

1 6821 11 0 4 2 54 507

1 6767 7 -6 2 4 54 699

1 6724 2 -7 1 1 54 851

1 6023 4 3 3 3 57 470

1 5983 5 7 1 0 57 626

1 5967 4 5 1 3 57 689

93
strontium Zirconium Phosphate, SrZr4(P04)6

Synonym

Strontium zirconium orthophosphate

CAS registry no. 67972-88-7

Sample

The sample was made by heating a 1:4:6 molar

mixture of SrCOg, ZrO^, and (NH4)2HP04 up to 500 °C. After regrinding it was heated to 1300 °C for 70 hours.

Color

Colorless

Structure

Rhombohedral , R''"". The structure is similar

to that of NaZr2(P04)3 (Chernorukov et al.,

1978.) *

Crystallographic constants of this sample

(Hexagonal axes)

a = 8.6935(4) A

c = 23.389(2)

c/a = 2.6904

Z = 3 V = 1530.85 a3

Density (calc) = 3.327 g/cm^

Figure of merit

F30 = 119.9(0.0068,37)

Reference

Chernorukov, N. G., Korshunov, 1. A., and

Prokof'eva, T. V. (1978). Sov. Phys

Crystallogr. Engl. Transl. 23, 475.

CuKa^ A = 1 540598

0A; temp. 26±1 °C Interna 1 standards Si , SRM 640a

Fluorophlogopite , SRM 675

0 jrel hk£ 2e(°) a = ±3

7.796 4 0 0 3 11.341

7. 170 9 1 0 1 12 . 334

6.333 10 0 1 2 13 . 972

4.619 35 1 0 4 19.198

4 . 348 75 1 0 20.407

3.972 5 0 1 5 22 . 366

3.795 74 1 1 3 23 . 420

3.716 2 0 2 1 23 . 926

3.583 2 2 0 2 24.829

3 . 165 36 0 2 4 28. 172

3.053 1 1 0 7 29 . 232

2.933 6 2 0 5 30 . 45 1 2.900 100 1 1 6 30 . 804

2.825 12 2 1 1 31.646

2 . 766 1 1 2 2 32.341

2.726 5 0 1 8 32 . 830

2.5579 10 2 1 4 35 . 053

2.5084 34 3 0 0 35 . 768

2.4307 4 1 2 5 36.951

2 . 3884 3 3 0 3 37.630

2.3089 5 2 0 8 38 . 977

2.2305 5 1 1 9 40 . 406

2. 1736 8 2 2 0 41.512

2. 1665 8 2 1 7 41.655

2 . 1098 13 3 0 6 42.827

2.0933 4 2 2 3 43 . 182 2.0395 16 1 2 8 44 . 381

1 .9862 7 0 2 10 45 . 639

1.9664 7 1 3 4 46. 125

1 . 9486 2 0 0 12 46.570

1.9067 4 3 1 5 47 . 655

1 .8980 29 2 2 6 47 . 888

1 .8762 1 4 0 1 48 . 480

1 .8582 2 0 4 2 48.981

1.8526 1 2 0 11 49.138

1.8064M 16 2 1 10 50 482

1 .8064M 3 0 9 50 482

1.7702 3 1 3 7 5 1 588

1.7495 1 1 0 13 52.245

1.7456 1 0 4 5 52.3/2

1.6989 8 3 1 8 53.926

1.6665 1 2 2 9 55.061

1 .6561 6 3 2 4 55.438

1.6426 20 4 1 0 55.931

1.6308 5 0 1 14 56.374

94
strontium Zirconium Phosphate, SrZr4(P04)g - (continued)

d(A)

rel

a = ±3

hk£ 2e(°)

1

.

6200 2 2 3 5 56. 781

1

.

6075 2 4 1 3 57

.

263

1 5824 4 0 4 8 58. 262

1 5573 10 1 3 10 59

.

290

1 5391 5 3 0 12 60. 063

1 5350 4 3 2 7 60 242

1 5268 7 2 0 14 60 600

1 5139 15 4 1 6 61 172

1 4898 2 3 1 11 62 270

1 4868 2 2 3 8 62 411

1 4667 5 4 0 10 63 360

1 4582 2 0 5 4 63 776

1 4489 4 3 3 0 64 232

1 4406 8 1 2 14 64 649

1 4244 1 3 3 3 65 472

1 3893M 3 3 2 10 67 346

1 3893M 4 1 9 67 346

1 3824 2 2 4 4 67 728

1 3625M 1 1 3 13 68 854

1 3625M 0 2 16 68 854

1 3582 3 3 3 6 69 102

1 3499 1 5 1 1 69 588

1 3175 2 5 1 4 71 558

1 3088 2 2 4 7 72 112

1 3044 2 3 1 14 72 394

1 2991M 1 0 0 18 72 736

1 2991M 1 5 5 72 736

1 2791 1 4 2 8 74 056

1 2548 2 6 0 0 75 739

1 2465 IL 3 2 13 76 339

1 2385M IL 6 0 3 76 917

1 2385M 1 2 17 76 917

1 2309 IL 3 4 2 77 480

1 2156 1 2 4 10 78 645

1 2057 2 5 2 0 79 419

1 2008 2 2 3 14 79 804

1 . 1944 IL 6 0 6 80 323

1 . 1913 IL 5 2 3 80 571

1 . 1707 IL 5 1 10 82 289

1 . 1629 IL 3 3 12 82 968

1 . 1557 1 0 1 20 83 599

1 . 1518 2 5 2 6 S3 945

1 . 1411 1 1 5 11 84 912

1 . 1399 IL 3 4 8 85 027

1 . 1299M IL 2 1 19 85 960

1 . 1299M 6 0 9 85 .960

1 . 1269 IL 1 6 4 86 .244

1 .1187 IL 5 0 14 87 .036

1 . 1160M 1 2 4 13 87 .293

1 . 1160M 3 2 16 87 .293

1 .0942 2 4 3 10 89 .492

95
Tantalum Tungsten Oxide, Ta2W0

Synonym

Tantalum tungstate

Sample

The single phase composition was prepared

by heating 52.4 mole % of Ta205 with 47.6

mole % of WO3 for 30 hours at 1350 °C. (A

mixture of 50 mole % each yielded 2 phases.)

The composition reported here may be regarded

either as oxygen deficient (Ta,W)3 Oy^gg or

as containing excess metal (Ta, W)3_oi2 Og

(Santoro et al . , 1979)

.

Color

Pale yellow gray

Structure

Orthorhombic , Pmab (57). The structure was determined by Santoro et al. (1979).

Crysta llographic constants of this sample

a = 16.6997(15) A

'

, . b = 17.7296(15) -

: c = 3.8798(4) .

. -

a/b = 0.9419

c/b = 0.2188 : :

Z = 8 „ ^

V = 1148.7 A^

Density (calc) = 7.791 g/cm^

Figure of merit

F30 = 73.6(0.0074,55)

Additional patterns

PDF card 19-1375 (Kovba and Trunov, 1965) PDF card 29-1322 (Holcombe, 1976)

References

Holcombe, C, Jr., Oak Ridge Nat. Lab.

Rep. No. Y2031 (1976).

Kovba, L. M. and Trunov, V. K. (1965).

J. Struct. Chem. Engl. Transl., 6, 224.

Santoro, A., Roth, R. S., and Minor, D. (1979). Acta Crystallogr. , B35, 1202.

0 L.UJ\U^ A

—— 1 R/iHCIQQ i

.

D^Ujyo temp

.

0 A+ 1 op ZOZ 1 L Internal standard / a = 4

0 08651 A

d(A) J rel

hk£ 2e(°) a = ±3

8.86 20 0 2 0 9.975

8.35 8 2 0 0 10.589

7.827 5 1 2 0 11 .296

z i 2 0 4.434 4 0 4 0 20.009

4.287 4 1 4 0 20. 704

3.918 35 2 4 0 22.679

3.881 100 0 0 1 22.896

"5 7 7 fi /, 2 0 00 coo 3.555 2 0 2 1 25.028

3.519 9 2 0 1 25.289

3.469 83 3 4 0 25.660

3. 125 46 5 2 0 28.538

J . u jy 1

/,H 4 0 zy . Joy

2.996 IL 3 2 1 29.799

2.910 29 1 6 0 30.694

2.876 2 1 4 1 31.074

2.786M 28 2 6 0 32. 102

Z . / oDL

J

0 0 0 JZ . 1 UZ 2.756 5 2 4 1 32.458

2. 707 18 4 2 1 33.069

2.668 6 5 4 0 33.558

2.656 5 6 2 0 33. 720

0 All J J 6 0Q /, Q 0 0

J'f . JZZ 2.586M 46 1 5 1 34.661

2.586M 3 4 1 34.661

2.4344 28 5 2 1 36.893

2.4117 2 4 6 0 37.253

0 OHIO 1 T / 4 1 3 / . 5 / H 2.3574 2 6 4 0 38. 144

2.3284M 17 1 6 1 38.638

2.3284M 5 3 1 38.638

2.3039 1 7 2 0 39.065

/ . zo J in ly z 6 1 on 0 n A jy . oUU 2.2631M 6 0 1 39.800

2.2165M 3 0 8 0 40.672

2.2165M 4 5 1 40.672

2. 1986M 4 5 4 1 41.019

2. 1986M 1 8 0 41 .019

2. 1922 3 6 2 1 41 . 144

2. 1674 XL 3 6 1 41.637

2. 1005 3 7 4 0 43.026

2.0874 3 8 0 0 43.310

2.0587M 2 3 8 0 43.946

2.0587M 5 5 1 43.946

96
Tantalum Tungsten Oxide, TagWO^ - (conti nued)

d(A) I hkZ 20(°) a = ±3

oz 2 4 5 \ 44 169

Z U J ID 3 2 0 44 564

9 U 1 HZ 2 5 4 \ 44 969

1 9812M 1 7 2 1 45 760

1 9812M 3 7 1 45 760

11 5 4 8 0 46 350

-7 J -7 O 2

1

Q 0 2 46 794

11 y £,'-r\J

•3 0 8 ]^ 47 202

1 8883M 6 8 4 0 48 149

1 8883M 2 0 2 48 149

8561 6 7 6 0 49 039

8466+ 13 5 8 0 49 310

8466+ 7 4 1 49 310

1 8381 4 8 0 1 49 553

1 8185 4 3 8 1 50 123

7999 6 8 2 1 50 677

7768 2 0 4 2 51 384

1121 4 0 10 0 51 513

1 7628M 4 1 10 0 51 822

1 7628M 7 5 1 51 822

1 7474M 6 4 8 1 52 313

1 7474M 1 9 1 52 313

1 7381 3 2 4 2 52 615

1 7341M 6 2 10 0 52 746

1 7341M 6 8 0 52 746

7255 5 4 2 2 53 029

IQkl 15 8 6 0 53 727 6983 8 8 4 \ 53 946

1 6930M 16 1 5 2 54 128

1 6930M 3 4 2 54 128

\ 6744M 6 7 6 54 779

6744M 3 9 1 54 779

\ 6701M 12 5 1 2 54 933

1 6701M 10 0 0 54 933

1 6670M 12 5 8 1 55 045

6670M 9 1 1 55 045

6482 1

2

5 2 2 55 727 6317M 4 10 0 56 340

\ 6317M 8 5 1 56 340

1 6235 2 7 8 0 56 650

1 6138M 9 5 3 2 57 019

1 6138M 1 6 2 57 019

1 6050 3 1 10 1 57 364

1 .5917 7 2 6 2 57 885

1 5917M 6 0 2 57 885

1 .5831M 5 2 10 1 58 230

1 .5831M 6 8 1 58 230

1 .5713 5 9 6 0 58 711

1 .5663+ 7 6 2 2 58 919

1 .5663+ 5 10 0 58 .919

a = ±3

hkJe 2e(°)

1 .5608 15 8 6 1 59. 146

1 . 5490 IL 3 10 1 59.640

1 .5336M 7 1 7 2 60.300

1 .5336M 10 0 1 60. 300

1 .5195 IL 8 8 0 60.921

1.5112M 1 10 2 1 61 . 291

1 .5112M 4 6 2 61 . 291

1 .5041 7 4 10 1 61.611

1 .4974M 5 7 8 1 61.918

1 .4974M 6 4 2 61.918

1 . 4840+ IL 7 2 2 62 . 542

1 .4840+ 3 7 2 62.542

1 .4717 2 1 12 0 63. 122

1 .4587M 4 5 6 2 63.752

1 .4587M 7 3 2 63.752

1.4563 5 9 6 1 63.867

1 .4525M 6 5 10 1 64.056

1 .4525M 6 5 2 64.056

97
Thorium Molybdenum Oxide, a-Th(Mo04)2

Synonym

Thorium molybdate

Sample

Th02 and M0O3 in a molar ratio of 1 to 2 were ground together and heated to 700 °C for 70 hours in a Pt crucible.

Color

Colorless

Structure

Orthorhombic, Pcab (61) (Thoret, 1974).

Crystallographic constants of this sample

a = 10.3174(7) A

b = 14.4835(10)

c = 9.7491(7)

a/b

c/b

0.7124

0.6731

Z = 8 o .

" V = 1456.8

Density (calc) = 5.032 g/cm^

Figure of merit

F30 = 105.5(0.0071,40)

Polymorphism

There is a hexagonal p-form existing above

950 °C (Thoret, 1974).

Additional pattern

PDF card 27-1468 (Thoret, 1974)

Reference

Thoret, J. (1974). Rev. Chim. Miner. 11,

237.

0 CuKa, K =

1 1.540598 A; mean T = 25.9 °C Internal standard Ag, a = 4

0 08651 A

0 d(A) jrel hk£ 2e(°) a = ±3

7 . 241 15 0 2 0 12 .213

6 . 371 8 1 1 1 13 . 890

5.929 5 1 2 0 14.929

5. 156 29 2 0 0 17.185

5 . 065 77 1 2 1 17 . 496

4 . 874 27 0 0 2 18 . 185

4 . 348 16 2 1 1 20 . 408

4.202 6 2 2 0 21.125

4.045 10 0 2 2 21.955

3.991 15 1 3 1 22 . 256

3 . 859 10 2 2 1 23 . 031

3 . 766 63 1 2 2 23 . 604

3.621 47 0 4 0 24.563

3.544 100 2 0 2 25.105

3.417 21 1 4 0 26 . 059

3 . 315 7 2 3 1 26 . 877

3 . 257 1

1 3 2 27 . 364

3.225 33 1 4 1 27.635

3.184 23 2 2 2 28.003

3 . 163 7 3 1 1 28.194

3 . 107 62 3 2 0 28 . 713

3 . 032 25 1 1 3 29 . 43

2 . 961M 71 2 4 0 30 . 154

2.961M 3 2 1 30.154

2.908 31 0 4 2 30.722

2.850 22 1 2 3 31.361

2.799 11 1 4 2 31.947

2.750 2 2 0 3 32.531

2.701 7 2 1 3 33. 135 2.682 2 1 5 1 33.382

2 620 17 3 2 2 34 197

2 609 11 1 3 3 34 347

2 579 4 4 0 0 34 755

2 574 3 2 2 3 34 833

2 5326 25 2 4 2 35 414

2 4936M 10 3 4 0 35 987

2 4936M 4 0 1 35 987

2 4582 6 4 1 1 36 524

2 4374 15 0 0 4 36 846

2 4297M 9 4 2 0 36 968

2 4297M 3 3 2 36 968

2 4151M 5 3 4 1 37 199

2 4151M 0 6 0 37 199

2 3538 8 1 4 3 38 205

2 2849 24 1 6 1 39 404

98
Thorium Molybdenum Oxide, a-Th(Mo04)2 - (continued)

d(A) I hk£ 2e(°)

a = ±3

2. 2786 15 4 0 2 39

517

22460 26 3 2 3 40. 115

22195 3 3 4 2 40. 616

2

2039 5 2 0 4 40. 916

21901 12 2 4 3 41

185

2 1747M 6 0 3 4 41

491

2 1747M 4 2 2 41

491

2 1599 2 3 5 1 41. 787

2 1334 11 2 6 1 42 331

2 1279 8 1 3 4 42 447

2 1161M 7 1 6 2 42 694

2 1 161M 1 5 3 42 694

2 0617 5 4 3 2 43 878

2 0535 12 4 4 1 44 062

2 0212M 10 0 4 4 44 805

2 0212M 4 0 3 44 805

2 0164 8 3 5 2 44 918

1 9995 21 5 1 1 45 319

1 9950M 31 2 6 2 45 427

1 9950M 2 5 3 45 427

1 9844+ 15 5 2 0 45 683

1 9844+ 1 4 4 45 683

1 9793 11 3 4 3 45 806

1 9446 18 5 2 1 46 672

1 9362 19 3 6 1 46 886

1 9179 12 3 2 4 47 361

1 9046M 18 0 7 2 47 712

1 9046M 1 6 3 47 712

1 8994 15 1 1 5 47 850

1 8897 7 4 5 1 48 113

1 8834+ 10 2 7 1 48 284

1 8834+ 5 1 2 48 284

1 8639 11 4 3 3 48 822

1 8519 10 1 2 5 49 158

1 8380M 24 3 3 4 49 554

1 .8380M 5 2 2 49 554

1 .8312M 25 3 6 2 49 752

1 .8312M 3 5 3 49 752

1 .8139 6 2 6 3 50 258

1 . 8097M 7 0 8 0 50 .384

1 .8097M 2 1 5 50 .384

1 .7917 4 4 5 2 50 .925

1 .7870 5 2 7 2 51 .071

1 .7804 7 1 3 5 51 .271

1 .7717 11 4 0 4 51 .544

1 .7627M 14 5 4 1 51 .824

1 .7627M 4 6 0 51 .824

1 .7585 14 4 1 4 51 .957

1 . 7541M 20 1 8 1 52 .098

1 .7541M 2 5 4 52 .098

d(A) J rel

O = ±3

hk£ 20(°)

1 . 7434M 8 3 7 1 52.442

1 .7434M 3 4 4 52 . 442

1.7344 7 4 6 1 52.735

1 . 7299 6 5 1 3 52.883

1 .7211M 4 1 7 3 53. 174

1.7211M 4 2 4 53. 174

1 .7156 7 0 6 4 53. 360

1 . 7083 14 2 8 0 53 . 605

1 .6975 16 0 8 2 53.975

1.6934+ 24 1 4 5 54. 115

1 .6934+ 6 0 1 54. 115

1 .6888 19 3 6 3 54. 274

1 .6830+ 16 2 8 1 54 . 476

1 .6830+ 5 4 2 54.476

1.6658 3 3 7 2 55.085

1 .6625 2 4 3 4 55 . 205

1 .6573+ 2 4 6 2 55 . 395

1 .6573+ 4 5 3 55 . 395

1 .6531 2 2 7 3 55.545

1 .6509 2 3 2 5 55.625

1 .6386 3 5 3 3 56.082

1 .6289 3 2 4 5 56 . 444

1 .6117M 3 2 8 2 57 . 104 1.6117M 6 1 2 57 . 104

1 .5976M 5 1 5 5 57.654

1 .5976M 6 3 1 57 . 654

1 .5920M 4 4 7 1 57 . 876

1 .5920M 4 4 4 57 . 876

1 .5827 3 6 2 2 58.246

1 .5807 4 3 8 1 58.327

1 .5770 4 0 7 4 58 . 479

1 .5681 7 5 6 0 58.842

1.5636 10 1 8 3 59 .030

g ]^ 7 4 59.213

1.5485M 6 4 6 3 59.662

1 .5485M 5 6 1 59.662

1.5393M 6 0 3 6 60.055

1.5393M 5 2 4 60.055

1 .5339 12 6 4 1 60.289

99
Thorium Molybdenum Oxide, p-Th(Mo04)2

Synonym

Thorium molybdate

Sample

The sample was prepared by heating Th02

and M0O3 in a 1 to 2 molar ratio in a Pt crucible at 700 °C for 20 3/4 hours, then

reheated at 1000 °C for 2 1/4 hours.

Color

Colorless

Structure

Hexagonal, P6 (174). The structure was determined by Thoret et al. (1968).

Crystallographic constants of this sample

a = 17.5764(6) A

c = 6.2265(2)

c/a = 0.3543

V = 1665.84

Density (calc) = 4.951 g/cm^

Figure of merit

F30 = 42.7(0.011,64)

Polymorphism

There is an orthorhombic a-form existing

below 950 °C (Thoret, 1974).

Additional pattern

PDF card 27-1469 (Thoret, 1974)

References

Thoret, J. (1974). Rev. Chim. Miner. U,

237.

Thoret, J., Rimsky, A., and Freundlich, W. (1968). C. R. Seances Acad. Sci., Ser.

C 267, 1682.

CuKa A = 1.540598 A; mean T = 25.6 °C

o Internal standard W, a = 3.16524 A

d(A) l''^^ hkS. 2e(°) a = ±3

8 79 2 1 1 0 10 051

5 764M 8 1 0 1 15 360

5 764M 2 1 0 15 360

5 075M 48 1 1 1 17 461

5 075M 3 0 0 17 461

4 821 7 2 0 1 18 389

4 227M 17 2 1 1 21 002

4 227M 3 1 0 21 002

3 935 51 3 0 1 22 580

3 592 79 2 2 1 24 768

d(A) l''^^ hk£ 2e(°) a = ±3

3. 495M 10 3 1 1 25 465

3 495M 3 2 0 25 465

3 321 34 4 1 0 26 820

3 247 5 4 0 1 27 443

3 1 15 14 0 0 2 28 635

3 047M 6 3 2 1 29 283

3 047M 5 0 0 29 283

2 932M 100 1 4 1 30 46

2 932M 3 3 0 30 46

2 735M 2 5 0 1 32 714

2 735M 5 1 0 32 714

2 650 3 3 3 1 33 793

2 612 4 4 2 1 34 309

2 541 23 2 2 2 35 298

2 503M 3 5 1 1 35 852

2 503M 4 3 0 35 852

2 439 5 5 2 0 36 826

2 348 1 6 0 1 38 299

2 322M 7 4 3 1 38 755

2 322M 6 1 0 38 755

2 271 46 4 1 2 39 646

2 198 1 4 4 0 41 027

2 175M 4 6 1 1 41 481

2 175M 5 3 0 41 481

2 133 10 3 3 2 42 337

2 0715 1 4 4 1 43 660

2 0528 7 5 3 1 44 079

2 0196 4 1 1 3 44 843

1 9985 4 6 2 1 45 341

1 9671 2 6 0 2 46 108

1 9523 2 2 1 3 46 478

1 9181M 94 7 1 1 47 357

1 9181M 6 3 0 47 357

1 8769 16 2 2 3 48 461

1 8628 3 3 1 3 48 853

1 8592M 2 5 4 1 48 954

1 8592M 7 2 0 48 954

1 8326 3 6 3 1 49 711

1 8196 2 8 0 1 50 089

1 7954 21 4 4 2 50 815

1 .7842 3 3 2 3 51 154

1 . 7807M 2 7 2 1 51 263

1 . 7807M 8 1 0 51 263

1 .7602 14 4 1 3 51 906

1 .7129M 2 8 1 1 53 450

1 .7129M 7 3 0 53 450

1 .6920M 32 7 1 2 54 164

1 .6920M 5 5 1 54 164

1 .6811 4 6 4 1 54 545

1 .6608 3 8 2 0 55 266

100
Thorium Molybdenum Oxide, p-ThCMoO^)^ - (continued)

d(A) l"^^""^ hk£ 26 (°) a = ±3

1 6510M 3 5 4 2 55 623

1 65 lOM 7 3 1 55 623

1 6328M 1

6 3 2 56 297

1 6328M 9 0 1 56 297

1 6048 8 8 2 1 57 371

1 5972 2 4 3 3 57 667

1 5787 5 7

/ 0 58 408

1 5569 5 0 0 4 59 308

1 5458M 3

co 5 1 59 7 76

1 5458M 8 3 0 59 7 76

1 5303M 19 5 5 2 60 444

1 5303M 7

/.^4 1 dU 444

1 49 y5rl 2

QO 3 1 O 1 822

1 499Dn 9 2 0 O 1 822

1 A Q O 1 3 0 DZ O A "7

1 4797 2 6 2 3 62 744

1i J un oJ

QO z Z O J A A /.

1 O

£:D 0 O J

A A A

1 Z Q Z

11 t> J

7/ OOQ A

11 7 cJ U D J

7/ oO« A

1 4461 16 7 1 3 64 371

L A o O

1i OD jy o

i A 1 Q f^M *-n y Oil 9 O

cJ Z D J 7/ ZH9 A

11 A*4 11 Qy AMOil 7 D 1 O J 7/ ZH9 A

1 Ana A 1 fi 1 U A 1 A O D z9 Aft *+o

1 4075M 21 7 4 2 66 362

i / r\ "711 1 DO OOZ

1 4011 z

Q 1 DO 7 A Q

1 3847M 2 7 2 3

A 7 597

1 3847M QO 3 2 7 It O 7 3y /

1 3750 8 3 3 4 68 139

1 3723 5 9 3 1 DO 295

1 3533 1 5 1

/. AQ 389

1 3513M 2 9 2 2 508

1 35 1 3M 1

0 1 oy 508

1 3412 3 5 5 3 70 106

1 3353 1 10 2 1 70 AAAOh

1 3268 5

co 0/. 70 981

1 3206M 2 7 3 3

7 1 / i ooZ •a A. o

1 3206M 7 5 z

7 1 JOZ

1 3102M 20 10 1 2 72 018

1 3102M 8 5 1 72 018

1 2967 4 8 2 3 72 891

1 2824 4 9 3 2 73 838

1 2685 5 12 0 0 74 785

1 2652 4 6 5 3 75 010

1 2563 6 7 4 3 75 635

1 2412 1 1 0 5 76 718

1 2396 1 8 3 3 76 838

1 2308M 10 8 5 2 77 486

d(A) a = ±32e(°)

1 .2308M 7 7 1 77 486

1 .2169 2 2 1 5 78 542

1 .2145M 1 9 5 1 78 726

1 . 2145M 12 1 0 78 726

1 .2085 12 6 3 4 79 199

1 . 1982 5 2 2 5 80 0 15

1 . 1962 6 10 4 ] 80 173

1 . 1858 4 10 1 3 81 019

1 . 1745 3 12 0 2 81 968

1 . 1660 7 4 1 5 82 699

1 . 1641M 17 7 7 2 82 860

1 . 1641M 9 6 0 82 860

1 . 1508M 1 8 7 1 84 039

1 . 150oM 10 5 0 84 039

1 . 1453 3 9 0 4 84 531

1 . 1441 1 9 6 1 84 646

1 . 1426 2 4 2 5 84 780

1 . 1411 1 12 2 1 84 913

1 . 1348 7 10 4 2 85 495

1 . 1258 7 8 5 3 86 348

1 . 1134M 1 11 3 2 87 557

1 . 1134M 11 4 1 87 557

1 . 1089 2 5 2 5 88 002

1 . 1072M 6 13 1 1 88 167

1 . 1072M 12 3 0 88 167

1 .0902M 6 9 6 2 89 913

1 . 0902M 12 3 1 89 913

1 .0818 1 8 8 1 90 808

1 . 0806 IL 5 3 5 90 934

1.0792M 1 10 5 2 91 085

1 .0792M 9 7 1 91 085

1 .0742 3 7 7 3 91 624

1 .0715 2 8 6 3 91 932

1 . 0668 2 6 6 4 92 447

1 .0631M 1 11 4 2 92 864

1 .0631M 13 2 1 92 864

1 .0596 3 7 1 5 93 269

1 .0581M 4 13 1 2 93 443

1 . 0581M 15 1 93 443

1 .0509 2 10 4 3 94 272

1 .0484 2 12 1 3 94 567

1 .0440 4 9 3 4 95 099

1.0379 3 0 0 6 95 839

1 .0360 1 8 8 2 96 072

1 .0334M 1 14 1 1 96 385

1.0334M 9 8 0 96 385

1 .0307 1 1 1 6 96 724

1 .0281 1 2 0 6 97 056

1.0196M 1 13 2 2 98 141

1 .0196M 9 8 1 98 141

101
Thorium Silicate (Huttonite), p-ThSiO^

Sample

The sample was prepared by heating an equimolar

mixture of Th02 and Si02 for a total of 60

hours at 1550 °C, with periodic grinding. The

sample contains a small amount of Th02 as a second phase.

Color

Colorless

Structure

Monoclinic, P2i/n (14). Isostructural with

monazite (Pabst and Hutton, 1951). The structure of monazite, CeP04, was determined

by Mooney (1948)

.

Crystallographic constants of this sample

a = 6.7759(4) A

b = 6.9648(4)

c = 6.4982(4)

p = 104.99(1)°

Z = 4 „ V = 296.23

Density (calc) = 7.267 g/cm^ ^

Figure of merit

F30 = 142.8(0.0045,47)

Polymorphism

A tetragonal modification, thorite, also exists

(Pabst and Hutton, 1951). This tetragonal

modification has the zircon structure.

Additional pattern

PDF card 4-613 (Pabst and Hutton, 1951).

References

Mooney, R. C. L. (1948). J. Chem. Phys

.

16, 1003.

Pabst, A. and Hutton, C. 0. (1951). Am. Mineral. 36, 60.

0 CuKa \ = 1 .540598 A; mean T = 27 . 1 °C Internal standards w, a = 3. 16524 A Fluorophlogopite

,

SRM 675

d(A)

rel

i nkii 2e(°) a = ±2

5.260 19 -1 0 1 16.842

4. 769 8 1 1 0 18 . 591 4.663 42 0 1 1 19.017

4. 198 74 -1 1 1 21 . 145 4.039 31 1 0 1 21 .988

3.493 30 1 1 1 25.478

3 . 2726 60 2 0 0 27 .228

3. 1395 7 0 0 2 28.406

3.0743 100 1 2 0 29.021

3.0440 13 0 2 1 29.317

2.9618 26 2 1 0 30. 149 2.8830 27 -1 1 2 30 . 994

2.8622 61 0 1 2 31 .225 2.6302 21 -2 0 2 34.059

2.4614 18 -2 1 2 36.475

2.4210 13 1 1 2 37. 105

2 . 3835 7 -2 2 1 37.711

2.3432 7 -1 2 2 38.384

2.2493 1 -3 0 1 40.054

2. 1774 25 0 3 1 41.437

2. 1617 23 -1 0 3 41 .751

2 . 1402 25 -3 1 1 42 . 191

2. 1020 23 2 2 1 42.995

2.0821 4 3 1 0 43.426

2.0129 3 1 3 1 45.000

1 .9733 6 -3 1 2 45.953

1 . 9392 27 2 1 2 46 . 810

1 .9129 10 3 0 1 47 .492

1 .8924 19 -2 3 1 48.040

1 .8721 24 -1 3 2 48.593

1 .8584 8 1 0 3 48.975

1 . 8488 15 3 2 0 49 . 247

1 .7933 13 0 2 3 50.876

1 . 7715 16 -3 2 2 51.549

1.7533 8 -3 0 3 52. 123

1.7424 16 2 3 1 52.473

1.7261 19 1 3 2 53.010

1 . 7002 1 -3 1 3 53.881

1.6828 11 1 4 0 54.484

1 .6778 6 0 4 1 54.660

1.6527 1 -1 4 1 55.560

1.6458 5 -4 1 1 55.816

1.6351 10 -4 0 2 56.213

1.6154 2 -3 3 1 56.960

1.5992 3 1 4 1 57.590

102
Thorium Silicate (Huttonite), p-ThSi04 - (conti nued)

o a ^ A J _ rel

1

rr — +0 U — XZ

h b- 0 /o I, ;

1 .5929 8 4 1 0 57 .840

1 .5895 8 3 3 0 57.973

1 .5819M 4 -1 3 3 58.279

1 .5819M -1 1 4 58.279

11 . jdVU ^^on cJ U nu JO

.

oUD

1 .5656 7 3 1 2 58.947

1 .5441 8 -2 1 4 59.849

1.5405 9 -3 3 2 60.005

1 .5367 8 -2 4 1 60. 167

i . JO i

J

u 1 A

1 .5259 3 -1 4 2 60.640

1 .5227 3 0 4 2 60.780

1 .4799 2 -4 2 2 62.731

1 .4720 4 -1 2 4 63. 110

L . HJ y D z

o OZ Z O J . / zu

1 .4527 5 2 4 1 64.044

1 .4439M 3 2 2 3 64.481

1 .4439M 1 4 2 64.481

1 .4348 2 -3 1 4 64.940

1 ^QQ z

_ Oo

oJO AA Rn 1

1.3716 5 4 2 1 68.332

1.3684 9 -4 3 1 68.514

1 .3609 2 3 4 0 68.947

1.3559 3 -1 4 3 69.234

J

_ 11

c;D

11 AQ 77ft

1.3385 3 0 4 3 70.270

1 .3337 7 1 2 4 70.557

1 .3307 8 -1 3 4 70. 740

1 .3293 7 -3 4 2 70.830

7 Q 11 O 7 1 n 1

1 .3215M 3 3 2 71.311

1.3183M 6 2 4 2 71 .510 1.3183M 4 0 2 71 .510 1.3097 3 2 3 3 72.055

1 .2949 3 4 1 2 73.004

1 .2926 7 -4 1 4 73. 160

1 .2879 7 3 4 1 73.470

1 .2814 4 -2 5 1 73.902

1 .2733 8 0 5 2 74.450

1.2674 3 -2 1 5 74.857

103
Thorium Tantalum Oxide, Th2Ta209

Synonym

Thorium tantalate

Sample

The sample was prepared from stoichiometric

proportions of Th02 and Ta205. The following

heating schedule, alternating with further

grinding, yielded a nearly single phase

product: 1400 °C for U\ days, at 1625 °C for 2 hours, at 1625 °C again for 2 hours,

and finally at 1625 °C for 1\ hours. Traces of unreacted Th02 remained.

Comment

Due to the minor radiation hazard, only one intensity chart was processed. Because of

the Th02 impurity and lack of repetitive

measurements, the intensities may be in error by a few percent.

Color

Yellowish white

Structure

Monoclinic. The cell was found by use of

the Visser program, followed by calculation

of the supercell given below. The data may

also be indexed on a C-centered orthorhomic

cell with twice the volume of the given

monoclinic cell. The phase is apparently

not isostructural with Th2Nb209, for which

single crystal work has been done by Cava

et al. (1981)

.

Crystallographic constants of this sample

a = 9.681(2) A

b = 7.4006(11)

c = 9.6766(15) . , P - 106.398(10)°

a/b = 1.3081

c/b = 1.3075

Z = 4 (assumed)

V = 665.08

Density (calc) = 9.687 g/cm^

Figures of merit

F30 ' 30.4(0.0092,107)

M20 = 24.0

Reference

Cava, R. J., Roth, R. S., and Minor, D. B. (1981). J. Am. Ceram. Soc. 64, #4, C-64.

CuKa A = 1.540598 A; mean T = 25.8 °C

1 o Internal standards W, a = 3.16524 A Fluorophlogopite, SRM 675

d(A) I hk£ 2e(°)

4 722M 2 -2 0 1 18 777

4 722M -1 0 2 18 777

-5 9 76M 4 -2 22 344

•5 ~j 9 76M - \ \ 2 22 344

3 932M 3 2 1 0 22 596

3 932M 0 1 2 22 596

3 749M 4 2 0 1 23 711

3 749M ] 0 2 23 711

3 701 6 0 2 0 24 024

3 437M 8 \ 2 0 25 900

3 437M 0 2 1 25 900

3 336 7 -1 2 1 26 700

3 223M 100 -3 0 27 659

3 223M - \ 0 3 27 659

3 1 19 64 \ 2 28 594

3 094M 7 3 0 0 28 837

3 094M 0 0 3 28 837

2 995M 5 -3 0 2 29 810

2 995M -2 0 3 29 810

2 955M 3 -3 \ 30 221

2 955M -1 1 3 30 221

2 912M 48 -2 2 1 30 679

2 9 12M _ J 2 2 30 679

2 894M 46 2 2 Q 869

2 894M 0 2 2 30 869

2 856M 1 3 1 0 31 291

2 856M 0 1 3 31 291

\j / V

_ z9 z9 9 J -J D jHii I 1 z9 z9 i \J\JH 9Z

1i 9Z

9

2 430M 5 -3 2 1 36 959

2 430M -1 2 3 36 959

9z9 9 9z

Au 9 7

9z9 7 c: M u9z 97•5/

ftc: Q

9Z9 ^ n _ 11 9J 1 9RJO 9 71

9Z zy yn 1 i 9Q

2 299M -1 1 4 39 154

2 2821 2 2 2 39 454

2 1895 + 3 2 1 41 196

2 1895 + 1 2 3 41 196

2 1742M -4 0 3 41 500

2 1742M -3 0 4 41 500

2 1180 -3 2 3 42 654

2 0875M 2 -4 1 3 43 309

2 0875M -3 1 4 43 309

2 0811 2 -2 3 2 43 449

2 0342M 1 4 1 1 44 503

2 0342M 1 1 4 44 503

1 9887M 2 -4 2 2 45 579

1 9887M -2 2 4 45 579

104
Thorium Tantal um Oxide, Th2Ta209 - (continued)

° rf>l d(A) I hk£ 2e(°)

1 9660M 33 4 2 0 46 135

1 9660M 0 2 4 46 135

1 9374 9 -4 0 4 46 855

1 9211M 2 -5 0 2 47 278

1 921 IM -2 0 5 47 278

1 9036M 1 -3 3 2 47 739

1 9036M -2 3 3 47 739

1 8751 + 8 2 0 4 48 511

1 875 1 + -3 2 4 48 511

1 8657M 4 -5 1 1

/ o 48 771

1 8657M -1 1 5 48 771

1 8564M 7 5 0 0 49 031

1 8564M 0 0 5 49 031

1 S505 15 0 4 0 49 198

1 8368+ 14 4 2 1 49 590

1 8368+ 1 2 4 49 590

1 8258M 2 3 3 1 49 910

1 8258M 1 3 3 49 910

1 7291M 13 r3 U 1 y ucs

1 7291M 1 0 5

c o 3Z y Uf5

1 7161 13 -4 2 4 53 341

1 7128 17 3 2 3 53 453

1 7052+ 15 J Do 7 11 /II

1 7052+ -2. 3

/. 53 ~7 1 1 /II

1 ^ n r\ o M 690iM 3 J

r\

L) 0 O 1

1 6903M 0 3 4 54 221

1 6798M IL 3 3 2 54 588

1 6798M 2 3 3 5h Q Q 3O0

1 6725M 3 4 2 2 54 Q A D OHO

1 6725M 2 2

/H 54 Q /. 0 040

1 6596+ 4 -4 1 5 55 309

1 6596+ 0 2 5 55 309

1 6458M 10 -5 2 3 55 Q 1 ^ o Id

1 6458M -3 2 5 55 Q 1 ^ o Id

1 6310M 1 -4 3 3 56 3ob

1 6310M -3 3 4 56 366

1 6108M 13 -6 0 2 57 137

1 6108M -2 0

/:D 5 / 13 / 1 6046M 29 -3 4 1 C "7 D / o "7 n 3/9

1 6046M -

4 3 5 / o "7 n 3/9

1 5885M 2 3 4 0 58 013

1 5885M 0 4 3 58 013

1 5774M 4 5 0 2 5o /. c 1.

1 5774M 2 0 5 5o 1 C^l.

1 5662+ 3 1 2 5

n O 58 923

1 5662+ -6 1 1

c o 58 923

1 5599 11 2 4 2 59 183

1 5389M 1 -6 1 3 60 074

1 5389M -3 1 6 60 074

1 5172 IL -5 1 5 61 021

1 .5154+ XL -2 3 5 61 102

1 5154+ 6 1 0 61 102

1 .5049+ 4 4 2 3 61 575

1 .5049+ 3 2 4 61 575

1 .4972M 1 -6 0 4 61 927

d(A) hk£ 26(°)

1 .4972M -4 0 6 61 .927

1 .4769M 3 -6 2 2 62.876

1 .4769M -2 2 6 62.876

1 . 4736M 1 -5 3 3 63 . 034

1 .4736M -3 3 5 63.034

1 .4695+ 2 -4 4 1 63.228

1 .4695+ -1 2 6 63.228

1 .4496 4 4 0 4 64.201

1 . 4162M IL 5 3 1 65 . 904

1 .4162M 1 3 5 65 .904

1 .4106M IL 2 5 0 66. 197

1 .4106M 0 5 2 66. 197

1 .4020M 1 -5 3 4 66.655

1 . 4020M -4 3 5 66 . 655

1.3585+ 1 -2 1 7 69.086

1.3585+ 1 2 6 69.086

1.3381 5 -4 4 4 70.293

1 .3295+ IL 5 2 3 70.817

1 . 3295+ 3 2 5 70.817

1.3265+ 1 7 0 0 70.998

1 .3265+ -6 3 3 70.998

1 .3107+ 4 5 4 0 71.987

1 .3107+ 0 3 6 71.987

1 . 3081M 3 -6 2 5 72 . 154

1 .3081M -5 2 6 72. 154

1.2833M 3 -7 2 1 73.773

1.2833M -1 2 7 73.773

1 .2746M 4 6 2 2 74.364

1 . 2746M 2 2 6 74 . 364

1.2636+ 7 5 4 1 75. 121

1.2636+ 1 4 5 75. 121 1.2604M 7 -7 0 5 75.346

1.2604M -5 0 7 75.346

1 .2573M 1 6 3 1 75 . 567

1.2573M 1 3 6 75 .567

1.2485M 4 7 2 0 76. 189 1.2485M 0 2 7 76. 189 1.2306M IL 4 4 3 77.504

1 . 2306M 3 4 4 77 . 504

1.2196 2 -6 2 6 78.338

1.2150M 5 -6 4 2 78.691

1 .2150M -2 4 6 78.691

1.2066M 3 1 6 1 79.348

1.2066M -7 3 2 79 . 348

1.2007 1 5 4 2 79 .810

1. 1983M 2 -6 4 3 80.008

1.1983M -3 4 6 80.008

1.1934+ 3 -7 2 5 80.398

1.1934+ -2 6 1 80.398

1 . 1846M 3 6 2 3 81 . 119

1 . 1846M 3 2 6 81. 119 1.1784 IL -1 1 8 81.640

1.1755 2 -2 6 2 81 .886

105
Thorium Tungsten Oxide, o(-Th(W04)2

Synonym

Thorium tungstate

Sample

The sample was prepared by grinding

together stoichiometric amounts of Th02

and WO3, heating with daily intermittent

grinding for extended periods at temperatures up to 875 °C. The sample contained

a small amount of Th02 as impurity. Hence,

the intensity of lines 26 = 27.370, 31.927,

45.765, and 54.293 may be somewhat in error.

Color

Colorless

Structure

Orthorhombic , Pcab (61). The unit cell and

space group were determined by Freundlich

and Pages (1969)

.

Crystallographic constants of this sample

a - 10.3709(14) A

b = 14.518(2)

c = 9.7133(13)

a/b = 0.7143

c/b = 0.6601

Z = 8 V = 1462.5

Density (calc) = 6.610 g/ cm^

Figure of merit

F30 - 81.5(0.0092,40)

Polymorphism

A hexagonal high temperature form was described by Spitsyn et al. (1969).

Additional pattern

PDF card 28-1373 (Thoret, 1974)

References

Freundlich, W. and Pages, M. (1969). C. R. Seances Acad. Sci., Ser. C, 269, 392.

Spitsyn, V. I., Pokrovskii, A. N., Afonskii,

N. S., and Trunov, V. K. (1969). Dokl. Chem.

(Engl. Transl.), 188, 825.

Thoret, J. (1974). Rev. Chim. Miner. U, 237.

CuKa A = 1.540598 A; mean T = 25.6 °C

^ o

^ V. d LivJ CS L u 4 0R6S1 A

0 jrel hk£ a = ±3

7 . 26 1

3

0 2 0 12 180 6.374 6 1 1 1 13.883

5.939 1 1 2 0 14.904

5. 183 8 2 0 0 17.094

5.072 19 1 2 1 17.472

4 854 1

3

0 0 2 18 263

4.608 7 0 1 2 19.246

4.573 8 2 0 1 19.393

4.362 19 2 1 1 20.342

4.219 13 2 2 0 21 .042

4 . 038 16 0 2 2 21 . 997 3.994 16 1 3 1 22.239

3.872 11 2 2 1 22.951

3.762 75 1 2 2 23.630

3.628 36 0 4 0 24.514

3 . 546 100 2 0 2 25.091

3.425M 29 0 3 2 25.993

3.425M 1 4 0 25.993

3.325 6 2 3 1 26.792

3.256 13 1 3 2 27.370

3 . 232 27 1 4 \ 27 . 580

3. 184 30 2 2 2 28.003

3.121 75 3 2 0 28.581

3.022 18 1 1 3 29.537

2.972M 55 2 4 0 30.044

2 . 972M 3 2 \ 30 . 044

2.908 21 0 4 2 30. 722 2.844M 10 1 2 3 31.427

2.844M 2 4 1 31.427

2.801 13 1 4 2 31.927

2.767 \ 3 2 32 330

2.699 11 2 1 3 33. 160 2.626 14 3 2 2 34. 115 2.606 10 1 3 3 34.390

2.537 14 2 4 2 35.350

2.503M 9 4 0 1 35.848

2.503M 3 4 0 35.848

2.434 17 3 3 2 36.892

2.355 11 1 6 0 38. 181 2.335M 3 1 1 4 38.531

2.335M 3 1 3 38.531

2.288M 9 1 6 1 39.342

2.288M 4 0 2 39.342

2.2596 15 4 1 2 39.863

2.2467M 18 3 2 3 40. 103

106
Thorium Tungsten Oxide, u-Th(W04)2 - (continued)

d(A) a = ±3

hk£ 2e(°)

2 . 246 7M 2 5 2 40 . 103

2 . 2234M 10 3 4 2 40 . 540

2 . 2234M 4 3 1 40 . 540

2. 1984 4 2 0 4 41 .023

2. 1934 4 2 6 0 41 . 120

2 . 1 807 6 4 2 2 41 .370 2.1712 4 0 3 4 41 . 560

2 . 1396 / 12 2 6 1 42 . 203

2. 1180 6 1 5 3 42.655

2.0614 6 4 4 1 43.886

2.0188 7 0 4 4 44 . 862

2 . 0035 29 4 1 3 45 . 223

1 . 9992 30 2 6 2 45 . 325

1 .9810+ 10 1 4 4 45.765

1 .9810+ 3 4 3 45.765

1 . 9543 19 5 2 1 46 . 427

1 . 9424 14 3 6 1 46 . 728

1 .9175 13 3 2 4 47.372

1 .9073 11 0 7 2 47 .641

1 .8968 13 4 5 1 47.922

1.8914 IB 5 1 2 HO . (Job

1 . 8807 8 2 4 4 48 . 356

1 . 867

1

12 4 3 3 48 . 732 1.8625 9 0 5 4 48.861

1 .8447 27 5 2 2 49.362

1 . 838

1

27 3 3 49 . 552

1 . 8352 25 3 6 2 49 . 637

1 .8191 5 2 0 5 50 . 106

1 .8167 5 2 6 3 50. 177

1 .8049 6 2 1 5 50.526

1 . 7963 6 4 5 2 50.786

1 . 7759 16 1 3 5 51.413

1 . 7723 20 4 0 4 5 1 . 525

1.7576 20 1 8 1 51 .986

1 .7409 1

1

4 6 1 52.524

1 . 7228M 7 1 7 3 53.119

1 . 7228M 4 2 4 53.119

1.7128 13 2 8 0 53.454

1 .6977 25 5 2 3 53.966

1 .6883 20 5 4 2 54.293

1 .6634M 2 4 3 4 55. 174

1 .6634M 5 5 1 55. 174 1.6431 6 5 3 3 55.913

1.6395 3 3 5 4 56.049

107
Vanadium Oxide (Karel ianite) , VgOg

Synonyms

Vanadium sesquioxide

Vanadium trioxide

Vanadic oxide

Sample

The sample was prepared by reducing V2O5 in a controlled atmosphere with the partial pressure

of oxygen less than or equal to 10"^° atm. It was then heated at 600 °C for 8 hours, at 925 °C for 18 hours, and at 900 °C for 30 hours with

intermittent grinding.

Color

Black

Structure

Rhombohedral , R3c (167). The structure was solved by Zachariasen (1928).

Crystallographic constants of this sample

(Hexagonal axes)

a = 4.9540(2) A . _ c = 14.0083(10) ;

c/a = 2.8277 '

; „

V = 297.7

Density (calc) = 5.016 g/cm^

Figure of merit

F30 = 64.6(0.0097,48)

Additional pattern

PDF card 26-278 (Hanawalt et al., 1938)

References

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Zachariasen, F. W. H. (1928). Skr. Nor. Vidensk . -Akad . , Kl . 1: Mat . -Naturvidensk

.

Kl. 4.

0 CuKa, k =

1 1.540598 A; mean T = 27 .4 °C Internal standard W J a 3 . 16524

0A

d(A)

jrel hk£ 2e(°)

0 = ±2

3.658 71 u i 2 24.314

2.713 100 1 0 4 32.987

2 . 477 80 1 1 0 36.231

2.336 6

nU

n 6 38.514

2. 189 36 i

1I 3 41 .216

2 . 0519 7 z9 0\J 2 44. 099

1 . 8292 34 0 2 4 49 . 811

1 .6990 85 1 1 6 53.923

1 .6210 1 nu

1i 8 56.745

1.5798 7

1i z9 2 58.366

1 . 4718 24 9 1i 4 63. 115

1 .4298 31 3 0 0 65 . 195

1 .3316 14 1 0 10 70 . 688

1.3180 3

1i11 9 71.527

1 .2385 6 9 z9 0 76.916

1 .2193 4

Q 6 78. 357

1 . 1972 1 2 2 3 80.092

1 . 1728M 9 3 1 2 82. 114

1 . 1728M v z9 10 82.114

1 . 1674 2 Q nu 12 82.575

1 . 1267 4

11 0 4 86 . 267

1 . 0940 12 2 2 6 89 .515

1 . 0601M 9 0 4 2 93.207

1.0601M 11 10 93.207

1.0559 3

1X 12 93.693

1 . 0255 1 A AW 4 97 . 381

.9745M 1

9 D 2 104 . 456

.9745M 0 1 14 104 . 456

.9690 IL 2 2 9 105 . 295

.9476 8 3 2 4 108.760

.9363 4 4 1 0 110.711

.9068M 4 1 3 10 116.309

.9068M 2 0 14 116.309

.9044 5 3 0 12 116.799

.8689 5 4 1 6 124.874

r

108
Ytterbium Fluoride, YbFs

CAS registry no. 13760-80-0

Sample

The sample was obtained from Research Chemicals,

Nuclear Corp. of America, Phoenix, AR.

Structure

Ortho rhombic , Pnma (62); isostructural with

YF3. The structure of YF3 was determined by

Zalkin and Templeton (1953).

Crystallographic constants of this sample

a = 6.2164(2) A

b = 6.7857(2)

c = 4.4316(2)

a/b = 0.9161

c/b = 0.6531

V = 186.94 A^

Density (calc) = 8.173 g/cm^

Figure of merit

F30 = 130.2(0.0062,37)

Polymorphism

Thoma and Brunton (1966) report that a hexagonal form exists. The transition temperature

is reported to be 985 °C.

Additional patterns

PDF card 5-551 (Zalkin, Thesis, U. Calif.,

Berkeley, 1951) PDF card 32-1418 (Greis, Thesis, U. Freiburg

i. Br. , Germany, 1976)

References

Thoma, R. E. and Brunton, G. D. (1966).

Inorg. Chem. IJ., 1937.

Zalkin, A. and Templeton, D. H. (1953).

J. Am. Chem. Soc. 75, 2453.

CuKa A = 1.540598 A; mean T - 25.8 °C

1 o Internal standards W, a = 3.16524 A Fluorophlogopite , SRM 675

d(A) I hk£ 2e(°) a - ±1

3 712 19 0 1 1 23 956

3 610 60 1 0 1 24 641

J y H Q 2 0 26 239

•5 187 100 \ \ ]^ 27 973

3 107 1

L

2 0 0 28 7 1

1

2 826 66 2 1 0 31 638

2 5447 3 2 0 1 35 240

2 4720 27 \ 2 1 36 312

2 3828 3 2 1 37 722

2 2912 IL 2 2 0 39 29

1

2 2162 12 0 0 2 40 679

2 0869 2 1 0 2 43 322

2 0355 15 2 2 1 44 473

2 0142 IL 0 3 1 44 970

1 9956 20 \ \ 2 45 411

1 9 164 40 \ 3 \ 47 401

1 8769 26 3 0 1 48 461

1 8551 15 0 2 2 49 068

1 8286 32 2 3 0 49 828

1 8090 18 3 1 1 50 404

1 7778 14 1 2 2 51 354

1 7437 23 2 1 2 52 432

1 6962 12 0 4 0 54 017

1 6425 17 3 2 1 55 938

1 5539 6 4 0 0 59 435

1 5349 12 1 4 1 60 245

1 5135 2 3 0 2 61 190

1 4771 6 3 1 2 62 866

1 4664 IL 4 0 1 63 377

1 4443 12 3 3 1 64 461

1 4334 8 4 1 1 65 014

1 4130 1 4 2 0 66 072

1 4107 16 2 3 2 66 192

1 4058 5 1 1 3 66 452

1 3821 2 3 2 2 67 744

1 3469 5 0 4 2 69 766

1 3343 3 2 0 3 70 525

1 3234 1 1 2 3 71 189

1 3165 1 1 4 2 71 620

1 3090 IL 2 1 3 72 096

1 2976 IL 0 5 1 72 827

1 2808 IL 4 3 0 73 942

1 2725 6 4 0 2 74 508

1 2703 6 1 5 1 74 656

1 2585 7 3 4 1 75 477

109
Ytterbium Fluoride, YbFs - (conti nued)

d(A) a = ±2

hk£ 2e(°)

1.2507 IL 4 1 2 76.035

1.2438 9 2 5 0 76.535

1 .2418 9 2 2 3 76.678

1 .2369 IL 0 3 3 77 . 040

1 .2306 IL 4 3 1 77.508

1 .2130 IL 1 3 3 78.849

1 .2033 IL 3 0 3 79.61

1 . 1974M IL 2 5 1 80.078

1 . 1974M 5 0 ] 80 . 078

1 . 1914 5 4 2 2 80.567

1. 1847 1 3 1 3 81.117

1.1790 4 5 1 1 81 .593

1. 1460 4 4 4 0 84.470

1 . 1379 3 1 5 2 85 . 21

1 .1337 5 3 2 3 85.603

1 . 1310 5 0 6 0 85.861

1 . 1290 5 5 2 1 86.047

1 . 1087 IL 4 3 2 88.019

1 . 0998 2 3 5 1 88.919

1 .0968 2 1 4 3 89.231

1 .0906 IL 1 0 4 89.870

1 .0846 5 2 5 2 90.503

1 .0792 3 1 6 1 91 .080

1 . 0767 3 1 1 4 91 . 351

1 .0707M IL 4 0 3 92.016

1 .0707M 5 1 2 92.016

1 .0620 IL 3 3 3 92.991

1 .0578M 9 5 3 1 93.468

1 . 0578M 4 1 3 93 . 468

1 .0488 4 2 4 3 94.528

1 .0384 IL 1 2 4 95.769

1 .0329 3 5 2 2 96.454

1 .0243 2 6 1 0 97.532

1 m 7Q •3J 4 4 2 98 . 358

1 .0104 4 3 5 2 99.349

1 .0074 2 0 6 2 99.746

.9994 IL 0 5 3 100.850

.9961 IL 4 5 1 101.307

IL ]^ 5 2 101 . 542

.9867 IL 1 5 3 102.652

.9825 1 1 3 4 103.267

.9812 IL 3 4 3 103.451

.9780 1 5 4 1 103.925

9687 8 3 105 . 350

.9677 7 4 3 3 105.495

.9669M 6 3 1 4 105 .620 .9669M 6 2 1 105.620

.9513M IL 2 5 3 108. 140 .9513M 5 0 3 108. 140 .9420M 4 5 1 3 109.716

.9420M 6 3 0 109.716

110
Zinc Vanadium Oxide , Zn3(V04)2

Synonym

Zinc vanadate

Sample

The sample was made by heating a 3:1 molar

mixture of ZnO and V2O5 at 780 °C for 3 days, with several regrindings.

Color

Yellowish white

Structure

Orthorhombic, Abam (64) (Brisi, 1960).

Isostructural with Co3(V04)2.

Crystallographic constants of this sample

a = 8.299(1) A

b = 11.5284(14)

c = 6. 1116(7)

a/b = 0.7199

c/b = 0.5301

V = 584.72 a3

Density (calc) = 4.839 g/cm^

Figure of merit

F30 = 66.6(0.010,44)

Polymorphism

Brown and Hummel (1965) report two polymorphic changes in Zn3(V04)2 at 795° and

815 °C. This is disputed by Makarov

et al . (1971) .

Additional patterns

PDF card 16-830 (Brisi, 1960) PDF card 19-1469 (Brown and Hummel, 1965)

Makarov et al. (1971)

Refe rences Brisi, C. (1960). Ric. Sci. 30, 1339.

Brown, J. J. and Hummel, F. A. (1965). Trans. Br. Ceram. Soc. 64, 419.

Makarov, V. A., Fotiev, A. A., and

Serebryakova , L. N. (1971). Russ.

J. Inorg. Chem. Eng. Transl. 1_6, 1515.

0 CuKa, A

1 = 1.540598 A; temp . 26±1 °C Internal standard Si , C D M ^ /. n

d(A) J rel hk£ 2e(°)

a = ±5

5 . 762 13 0 2 U ID . JDH

4 . 731 18 1 2 (J

1 Q 7 /. 0 4.147 7 2 0 0

0 1 /.in Z 1 . H 1 u 3.367 20 2 2 0 26.452

3.290 27 2 1 1 27 .080

3 . 059 1 0 0 2 29 . 165

3 . 030 57 1 3 1 on 1. C^r\ zy . '+DU 2 . 882 30 0 4 0 3 1 . 004

2.723 4 1 4 0 32.866

2.700 9 0 2 2 33. 156

2 . 568 100 1 2 2

0 /. n n "7 J'* . y U / 2 . 494 4/ 3 2 0

0 c n 0 n 2 . 462M 25 3 1 1 JO . HOb

2.462M 2 0 2 36.466

2.367 3 2 4 0 37.984

2 . 263 3 2 2 2 39.797

2 . 0964 37 0

/^ 2 Hj .lib

2.0878 36 1 5 1 43 . 302 2.0747 1 4 0 0 43.589

2.0323 1 1 4 2 44.546

1 n c 0 0 1.9533 3 z U HO/.A /.CO . H J J 1.9319 / 3 z. 2

ir not? HO . yy

0

1 . 9203 4 0

cD 0 47 .299

1 .9154 4 2 5 1 47 .426

1 .8716M 5 1 6 0 48.608

1.0/ Ion 2 2

/ 0 A n 0

1 . 806

1

4 2 1 3 50.491

1 . 7588 c0 1 3 3 51.950

1.7167 8 4 0 2 53.323

1 .6509 3 2 3 3 55.627

I

.

o45 / 4 4 2 2 55.817

1 . 6237 7 3 1 3 56 . 641

1 . 5963 23 1 6 2 57 . 704

1 .5863 8 5 1 1 58. 103

1 .5778 12 3 6 0 58.444

1 . 5276 13 0 0 4 60 . 562

1 . 5 145 6 2 6 2 61 . 145

1 . 5014 3 1 5 3 61 . 734

1 . 4848 4 2 7 1 62 . 503

1.4748 38 4 4 2 62.975

1.4542 2 1 2 4 63.972

1.4414 13 0 8 0 64.609

1.4377 2 5 4 0 64. 793

1 .4331M 1 2 0 4 65.028

1.4331M 2 5 3 65.028

111
Zinc Vanadium Oxide, Zn3(V04)2 - (continued)

o d(A)

^rel

I a = ±5

hkH 2e(°)

1 . 4095 1 4 6 0 66 . 254

1 .3918 1 2 2 4 67.211

1.3786 2 3 7 1 67.937

1.3495 3 0 4 4 69.610

1 . 3400 IL 6 1 1 70 . 180

1.3028 9 3 2 4 72.493

1 .2838 2 2 4 4 73.744

1 .2789 4 5 1 3 74.070

1.2563 1 5 6 0 75 .638

1 .2471 3 6 4 0 76.290

1.2436 2 2 8 2 76.543

1.2302 3 4 0 4 77.534

112
Zirconium Boride, ZrBg

Synonym

^irconiuni diboride 0 CuKu A = 1.5 40598 A; mean T = 24.9 ° C CAS registry no. Internal standard Si , SRM 640a

12045-64-6

Sample d(A) jrel hk£ 2ef°j

The sample was prepared at NBS by S. Lang. 0 — ^+ 1L

Color 3 530 30 0 0 1 25. 205 Very dark gray 2 7445 67 1 U 32. 601

2 1663 100 1 0 1 41 . 658

Structure 1 7652 9 0 0 2 51

.

746

Hexagonal, P6/mmm (191). Kiessling (1949) 1

1 Q 1 1 0 D 0 . 1

1 RA0 H and Norton et al. (1949) studied the structure

of ZrB2. This phase is isomorphous with AIB2

•

1 4845 21 1 0 2 62. 515

1 4455 16 1

11

11 64. 404

Crystallographic constants of this sample 1 3722 8 2 0 0 68. 298

a = 3. 16870(8) A

1 2789 16 2 0 1 74. 071

c = 3.53002(10)

11

1I 7Qn / yV 1 3 1 1 2 ft0 11 . ft ^

c/a = 1.1140 1 1769 1 0 0 3 81

.

770

1 0832 8 2 U z 90. 654

2=1 0

1 0813 10 1 0 3 90. 853

V = 30.70 A^ 1 0372 7 2 1 0 95. 918

Density (calc) = 6.104 g/cm^ 9951 14 2 1 1 101. 442

Figure of merit 9446 4 1 1 3 109. 266

F23 = 175.3(0.0057,23) 9147 3 3 0 0 114. 733 8942 10 2 1 2 118. 958

Additional pattern 8932 6 2 0 3 119. 185 PDF card 6-610 (Am. Electro Metal Co.) 8855 4 3 0 1 120. 899

References 8825 2 0 0 4 121

.

593

Kiessling, R. (1949). Acta Chem. Scand. 3, 8402 4 1 0 4 132. 938

90. 8122 7 3 0 2 143. 047

Norton, J. T., Blumenthal, H. , and Sindeband,

J. (1949). Metall. Trans. 1S5, 749.

113
Zirconium Hydrogen Phosphate Hydrate, Zr(HP04)2 -HgO

Synonym

Zirconium hydrogen orthophosphate hydrate

CAS registry no. 13933-56-7

Sample

The sample was prepared by the method of

Alberti and Torracca (1968). ZrOCl-SHgO

was dissolved in H2O. HF and H3PO4 were added and the solution allowed to evaporate

slowly at room temperature. The crystals

formed were very fine needles.

Color

Colorless

Structure

Monoclinic, P2i/n (14) (Ahrland and

Albertsson, 1969). The structure was determined by Clearfield and Smith (1969).

Crystallographic constants of this sample

o a = 15.463(4) A b = 5.294(2)

c = 9.0674(15)

P = 101.70(2)°

a/b = 2.9209

c/b =1.7128

Z = ^ V = 726.83 a3

Density (calc) 2.753 g/cmFigure of merit

F30 = 21.0(0.013,108)

Additional patterns

PDF card 19-1489 (Sedlakova and Pekarks, 1966) PDF card 21-396 (Michel and Weiss, 1967) PDF card 21-397 (Priv. Comm., Winkler, 1968) PDF card 22-1022 (Ahrland and Albertsson, 1969)

References

Ahrland, S. and Albertsson, J. (1969). Acta

Chem. Scand. 23, 1446.

Alberti, G. and Torracca, E. (1968). J. Inorg. Nucl. Chem. 30, 317.

Clearfield, A. and Smith, G. D. (1969).

Inorg. Chem. 8, 431.

Michel, E. and Weiss, A. (1967). Z. Naturforsch. 22B, 1100.

0 CuKa A = 1.540598 A; mean T = 26±2 °C Internal standards Si, SRM 640a

Fluorophlogopite

,

SRM 675

d(A)

rel

1 2e(°)

u — J. 1

7.59 100 2 0 0 11 .653 4.489 14 -1 1 1 19.761

4.441 8 0 0 2 19.978

4.052 IL 3 0 1 21.917

3 . 785 1 U 23.483

3.568 51 -3 1 1 24.934

3.531 31 2 0 2 25. 198 3.220 3 -4 0 2 27 . 683

3 . 082 1 4 1 0 28.948

3.045 0 11 0z. 29.309

3.022 IL -1 0 3 29.539

2.649M 14 -5 1 1 33.811

2 . 649M 0 2 0 33.811

2 . 626 14 -1 1 3 34.112

2 . 524M A 0 \ 35.539

2.524M 6 0 0 35.539

2.475 IL 1 1 3 36.263

2 . 408 6 5 1 1 37 . 305

2.353 2 3 0 3 38.219

2 . 277 IL 5

1I 0 39.544

2.219 IL 0 0 4 40.631

2. 197 1 -6 1 2 41 .059

2. 169 3 4 2 0 41 . 600

2 . 164 2 -5 1 3 41.705

2.118 J z9 42.663

2.111 2 -4 0 4 42.806

2.045 5 -4 2 2 44.258

2 . 038 4 -7 1 1 44.425

2.023 3 2 0 4 44.769

1.996 1 3 2 2 45.407

1.968 IL -7 1 2 46.077

1.930 IL 5 0 3 47.055

1.8922M 5 8 0 0 48.044

1.8922M 5 2 1 48.044

1.8791 5 7 1 1 48.400

1.8647M 5 4 2 2 48.800

1.8647M -b 0 4 48.800

Sedlakova, L. and Pekarks, V. (1966)

Less-Common Met. 10, 130.

J.

114
Zirconium Titanium Oxide, ZrTi04

Synonym

Zirconium titanate

CAS registry no. 12036-70-3

Sample

The sample was prepared by heating equimolar

amounts of ZrOg and TiOg at 1500 °C for 66 hours. It was then heat-treated at 1500 °C for 17 hours and quenched in distilled water.

Color

Pale pink

Structure

Orthorhombic , Pnab (60). The unit cell was determined by Coughanour et al. (1954) and

the space group by Newnham (1967).

Crystallographic constants of this sample

a = 5.0358(5) A

b = 5.4874(6)

c = 4.8018(6)

a/b = 0.9177

c/b = 0.8751

V = 132.69 A^

Density (calc) = 5.084 g/cm^

Figure of merit

F30 = 68.0(0.011,41)

Additional pattern

PDF card 7-290 (Coughanour et al., 1954)

References

Coughanour, L. W. , Roth, R. S., and DeProsse,

V. A. (1954). J. Res. Natl. Bur. Stand.

(U.S.), 52, 37.

Newnham, R. E. (1967). J. Am. Ceram. Soc. 50, 216.

CuKa A = 1.540598 A; mean T = 25.5 °C

1 o Internal standard W, a = 3.16524 A

d(A) l'^^^ bkZ 2e(°) a = ±1

3 614 16 0 1 1 24 614

2 934 100 1 1 ] 30 443

0z. 1 LL 0 2 0 32 612

2 517 10 2 0 0 35 642

2 408 9 1 2 0 37 312

2 229 3 2 0 1 40 431

2 154 10 1 2 1 41 911

z UUU 1 4 2 ] 4? 781

2 0158 IL 1 1 2 44 931

1 8542 13 2 2 0 49 092

1 8067 1

1

0 2 2 50 472

1 7376 13 2 0 2 52 632

1 q 0 3 53 S62

1 7013 12 1 2 2 53 843

1 6192 6 1 3 1 56 813

1 5366 IL 0 1 3 60 174

1 5224 10 3 1 1 60 794

I 4679 I J 2 2 2 63 305

1 4318 4 3 2 0 65 096

1 4144 6 2 3 1 65 996

1 3506 IL 2 0 3 69 548

1 3345 IL 3 1 2 70 508

1 4 ]^ 4 0 7 1

1 3121 IL 2 1 3 71 899

1 2763 1 1 4 1 74 250

1 2590 1 4 0 0 75 441

1 2298 IL 3 2 2 77 562

1 . 9 1 7Zi <L 1 / H

1 T

I Li 4 n 7R/ 0 J U J

1 .2046M 2 2 4 0 79 504

1 .2046M 0 3 3 79 504

1 .2003 1 0 0 4 79 844

1 . 1978 1 3 3 1 80 044

1 . 1910 1 0 4 2 80 594

1 . 1890 1 4 1 1 80 764

1 .1716 IL 1 3 3 82 215

1 . 1591 3 1 4 2 83 296

1 . 1443 1 4 2 0 84 627

1 . 1336 1 3 1 3 85 608

1 . 1152 1 4 0 2 87 379

1 .0997M IL 0 2 4 88 930

1 .0997M 3 3 2 88 930

1 .0864 2 2 3 3 90 312

115
Zirconium Titanium Oxide, Zr5Ti7024

Synonym

Zirconium titanate

Sample

The sample was prepared by blending Zr02 and

Ti02 in the molar ratio of 5:7, doped with

1/2 mole % of Y2O3 to promote crystallinity

,

and calcined at 1000 °C for 24 hours, twice

reground and fired at 1500 °C for 20 hours,

heat-treated at 1300 °C for several hours

and cooled at 1 °C/hour to 650 °C (McHale

et al. , 1983)

.

Color

Pale yellowish pink

Structure

Orthorhombic , Pcan (60). The material has

the columbite structure (McHale et al.,

1983). The structure was confirmed by

neutron powder diffraction (Bourdot, 1983).

Crystallographic constants of this sample

a = 5.3255(5) A

b = 14.374(2)

c = 5.0236(5)

a/b = 0.3705

c/b = 0.3495

V = 384.55

Density (calc) = 5.075 g/cm^

Figure of merit

F30 = 66.8(0.011,43)

References

Bourdot, P. (1983). Private communication.

McHale, A. E., Roth, R. S., Santoro, A.,

and Simmons, J. (1983). Am. Ceram. Soc. Bull. 62, 387.

CuKa^ A = 1.540598 A; mean T - 26.0 °C Internal standard Si, SRM 640a

° re! d(A) I hk£ 2e(°) a = ±1

7 19 4 0 2 0 12 . 305

3 592 6 0 4 0 24 765

3 561 14 1 3 0 24 .986

3 543 1 1 I 1 1 25 . 116

3 257 8 I 2 1 27 358

2 904 100 1 3 1 30 . 760

2 663 15 2 0 0 33 628

2 561 3 1 4 1 35 .013

2 513 9 0 0 2 35 . 704

2 498 4 2. 2 0 35 . 921

2 475 2 0 1 2 36 264

2 396 4 0 6 0 37 506

2 353 4 2 0 1 38 217

2 321 IL 2 1 38 . 758

2 260 4

1 5 1 39 863

2 225 1 0 3 2 40 513

2 1389 4 2 4 0 42 218

2 1123 10 2 3 1 42 776

2 0594 5 0 4 2 43 931

2 0531 4 1 3 2 44 071

1 9680 1 2 4 1 46 084

1 9190 2 1 4 2 47 332

1 8904 2 0 5 2 48 092

1 8267 14 2 0 2 49 883

1 8127 2 2 2 50 293

1 7905 3 7 50 964

1 7814 15 2 6 0 51 241

1 7705 6 2 2 2 51 580

I / ^ J J 1

0

0 5 2 779

-[ 6788 7 2 5 14 626

I 665

1

1

1

1 1

-3 "3 J J

1i Q0

-3 1

i- CL c: 999

1 6285 2 2 4 2 56 461

1 5880 5 1 1 3 58 035

1 5804 11 3 3 1 58 342

1 5592 3 1 2 3 59 211

1 5425 1 2 5 2 59 920

1 5293 IL 1 9 0 60 489

1 5153 5 1 3 3 61 108

1 4895 1 2 8 0 62 283

1 4634 6 1 9 1 63. 520

1 4612 5 0 8 2 63. 627

1 4592 4 1 4 3 63. 724

1 4534 4 2 6 2 64. 012

1 4459 2 3 5 1 64. 381

116
rconium Titanium Oxide, Zr5Ti7024 - (continued)

d(A) a = ±1

2e(°)

1 .4209 IL 3 2 2 65 .655 1.4176 1 2 0 3 65.827

1 .4109 3 2 1 3 66. 179 1.3877 2 3 3 2 67 .434 1.3649 1 2 7 2 68.714

1 . 3448 IL 3 4 2 69 .889

1 . 3093 2 4 2 0 72.076

1 .2971 IL 3 7 1 72.862

1 .2872 2 4 0 1 73.517

1.2817 1 4 1 1 73.886

1 .2612 IL 1 7 3 75.292

1 .2556 IL 0 0 4 75 .681 1.2511 1 0 1 4 76.007

1.2371 1 0 2 4 77 .022 1.2135 1 3 1 3 78.804

1.2050 IL 1 2 4 79.470

1. 1979 IL 0 12 0 80.041

1 . 1874 1 3 9 0 80.892

1 . 1846M IL 1 3 4 81 . 121

1 . 1846M 3 7 2 81 . 121

1 . 1807 1 3 3 3 81 .443

1. 1762 1 4 0 2 81 .827

1. 1636 2 4 6 0 82.901

1.1607 2 4 2 2 83. 156 1.1553 2 3 9 1 83.632

1.1336 2 4 6 1 85.613

1.1297M IL 2 10 2 85.981

1.1297M 1 9 3 85 .981

117
Molybdenum Oxide (Molybdite), M0O3

This pattern is calculated from published

crystal structure data. The calculation

procedure follows the method described in

sections 15 and 16 of NBS Monograph 25.

Synonym

Molybdenum trioxide

CAS registry no. 1313-27-5

Structure

Orthorhombic , Pbrnn (62). The structure was refined from single crystal data (Kihlborg,

1963)

Atom positions

All atoms were in special positions 4(c).

Intens ities

The peak intensities here differ from those

on PDF card 5-508 (Swanson et al., 1954),

especially at hkJZ's 040 and 060. From a spray-dried sample, recent experimental

intensity measurements at NBS support the

intensity values given in this calculated

pattern

Crystal lographic constants of this sample

a = 3.9630 A

b - 13.856

c = 3.6966

a/b = 0.2860

c/b = 0.2668

(published values: 3.9628, 13.855, 3.6964 A; Kihlborg, 1963)

Z = ^ V = 202.99 A^

Density (calc) = 4.710 g/cm^

Thermal parameters

Isotropic (Kihlborg, 1963)

Scattering factors

0-2 (Suzuki, 1960)

Mo*^ (Thomas and Umeda , 1957), corrected for

the real part of the anomalous dispersion

(Cromer and Liberman, 1970).

Scale factors

V = 0.686 X 10-2

I/I , (calculated) = 4.80, for the scale corundum ' reflection hk£ = 021

Polymorphism

A hexagonal form has been reported (PDF card

21-569, Spangenberg, Westinghouse Electric

Corp., Horseheads, NY).

Additional pattern

PDF card 5-508 (Swanson et al., 1954)

References

Cromer, D. T. and Liberman, D. (1970).

J. Chem. Phys. 53, 1891.

Kihlborg, L. (1963). Ark. Kemi 21, 357.

Suzuki, T. (1960)

Acta Crystallog r. 13,

279.

Swanson, H E. , Fuyat, R . K. , and Ugrinic,

G. M. (1954). Natl . Bur . Stand. (U .S.)

Circ. 539, 3, 30.

Thomas, L. H. and Umeda, K. (1957). J. Chem. Phys 26, 293

Calculated Pattern (Peak heights)

\=1 . 540598A

d(A)

jTel hk£ 28(°)

6 . 921 36 0 2 0 12.78

3 . 808 77 1 1 0 23 . 34 3.464 38 0 4 0 25.70

3.440 31 1 2 0 25.88

3 . 259 100 0 2 1 27 . 34

3 . 008 7 I 3 0 29 . 68

2 . 703 15 1 0 1 33 . 12 2.653 26 1 1 1 33.76

2.608 3 1 4 0 34.36

2 . 5267 7 0 4 1 35 .50

2 . 3329 8

11-J 1 38 . 56 2.3088 • 21 0 6 0 38 . 98 2.2707 13 1 5 0 39.66

2. 1311 7 1 4 1 42.38

1 . 9953 2 1 6 0 45 . 42

1 .9812 8

0 nu 0 45 . 76 1.9586+ 12 0 6 1 46 . 32 1.9349 1 1 5 1 46.92

1.9051 1 2 2 0 47.70

1 . 8483 15 0 0 2 49 . 26

1 .8206 9 2 3 0 50.06

1 . 7860 2 0 2 2 51.10

1.7705 2 1 7 0 51.58

1 7 Q /, 1 6 1 0 r\/i

1 .7324 13 2 1 1 52.80

1 . 7203 2 2 4 0 53.20

1.6933 5 2 2 1 54. 12

1 .6627 10 1 1 2 55.20

1.6301 9 0 4 2 56.40

1 .6285 9 1 2 2 56.46

1.5969 12 1 7 1 57.68

1.5869 3 1 8 0 58.08

1.5745 2 1 3 2 58.58

1.5682 11 0 8 1 58.84

1.5079 1 1 4 2 61.44

1.5039 3 2 6 0 61.62

1.4776 10 2 5 1 62.84

1.4585 1 1 8 1 63.76

1 .4431 7 0 6 2 64.52

1.4337+ 8 1 5 2 65.00

118
Molybdenum Oxide (Molybdite), M0O3 - (continued)

0 hk£ 2e(°)

1 .4004 4 2 7 0 66. 74

1 .3931 1 2 6 1 67 . 14 1.3854 3 0 10 0 67 .56

1 . 3558 1 1 6 2 69 . 24

1 .3518 3 2 0 2 69.48

1 .3453 3 2 1 2 69.86

1 .3380 1 1 9 1 70.30

1.3096 1 2 7 1 72.06

1 . 2975+ 8 2 3 2 72 . 84 1.2788 1 1 7 2 74.08

1 .2591 1 2 4 2 75 .44

1 . 2440 4 3 0 1 76.52

1.2331+ 2 1 10 1 77.32

1.2299 3 2 8 1 77 .56

1 .2157 1 2 9 0 78.64

1 .2131 4 0 2 3 78.84

1 .2041 2 1 8 2 79.54

1 .2011+ 2 3 3 1 79.78

+ More than one hk£ possible

Calculated Pattern (Integrated)

A=l .540598A

d(A) I hkS. 20(°)

6 927 31 0 2 0 12. 77

3 8098 73 1 1 0 23 33

3 4636 34 0 4 0 25 70

3 4399 25 1 2 0 25 88

3 2618 100 0 2 ] 27 32

3 0076 7 1 3 0 29 68

2 7034 15 1 0 1 33 11

2 6528 27 1 1 1 33 76

2 6079 3 1 4 0 34 36

2 5274 7 0 4 1 35 49

2 5185 1 1 2 1 35 62

2 3329 8 1 3 1 38 56

2 3093 22 0 6 0 38 97

2 2713 14 1 5 0 39 65

2 1311 8 1 4 1 42 38

1 9953 2 1 6 0 45 42

1 9816 8 2 0 0 45 75

1 9613 8 2 1 0 46 25

1 9586 8 0 6 1 46 32

1 .9349 1 1 5 1 46 92

1 .9051 1 2 2 0 47 .70

1 .8483 17 0 0 2 49 .26

1 .8210 11 2 3 0 50 .05

1 .7860 2 0 2 2 51 . 10

1 .7708 2 1 7 0 51 .57

d(A) J rel hk£ 2e(°)

1 . 7559 4 1 6 1 52 . 04

1 . 7327 15 2 1 1 52 . 79

1 . 7200 2 2 4 0 53.21

1 .6935 6 2 2 1 54. 11

1 .6629 12 1 1 2 55. 19

1 .6335 2 2 3 1 56 . 27

1 .6306 7 0 4 2 56.38

1 .6282 5 1 2 2 56.47

1 .5969 14 1 7 1 57.68

1 .5871 2 1 8 0 58.07

1 .5748 2 1 3 2 58 .57

1 .5684 13 0 8 1 58.83

1 . 5081 1 1 4 2 61 . 43 1.5037 3 2 6 0 61.63

1.4774 12 2 5 1 62.85

1 .4583 1 1 8 1 63.77

1 . 4429 8 0 6 2 64.53

1 .4350 4 1 9 0 64.93

1 .4334 7 1 5 2 65.01

1 .4004 5 2 7 0 66.74

1 . 3929 1 2 6 1 67 . 15

1 . 3856 3 0 10 0 67 . 55

1 . 3558 1 1 6 2 69 . 24

1 .3516 4 2 0 2 69.49

1.3452 4 2 1 2 69.87

1 .3378 1 1 9 1 70 . 31

1 . 3096 1 2 7 1 72 . 06

1 . 2976 4 3 2 0 72 . 83

1 .2972 7 2 3 2 72.86

1 .2786 1 1 7 2 74.09

1 . 2591 1 2 4 2 75 .44

1 .2440 4 3 0 1 76.52

1.2343 1 3 4 0 77 . 23 1.2331 2 1 10 1 77.32

1 .2297 3 2 8 1 77.57

1.2158 1 2 9 0 78.63

1.2132 4 0 2 3 78.83

1 .2040 2 1 8 2 79.55

1.2011 1 3 3 1 79.78

1.2005 1 1 11 0 79.83

119
CUMULATIVE INTDEX TO CIRCULAR 539, VOLUMES 1-10 and MONOGRAPH 25, SECTIONS 1-20, inclusive.

INORGANIC NAMES

Vol. or

Sec. Page

Vol. or

Sec. Page

Aluminum, Al 1 Aluminum antimony, AlSb 4 Aluminum bismuth oxide, Al4Bi209 .... 11m

Aluminum borate, AljgB4033 17m

Aluminum chloride, AICI3 9m

Aluminum chloride hydrate

(chloraluminite) , A1C13-6H20 7 Aluminum copper, AI4CU9 11m Aluminum fluoride hydroxide silicate,

topaz, Al2(F,0H)2Si04 Im Aluminum iron, AlFe 18m

Aluminum iron antimony oxide, bahianite,

AI5. 66^60. 09Sb2.950l6 16m

Aluminum iron oxide, AlFe03 15m

Aluminum lithium, Al4Li9 10m

Aluminum nickel, AlNi 6m

Aluminum nitride, AIN 12m Aluminum nitrate hydrate,

A1(N03)3-9H20 11m Aluminum oxide (corundum), a-Al203 .. 9 Aluminum oxide hydrate (boehmite),

a-Al203-H20 3 Aluminum oxide hydrate, diaspore,

P-A1203-H20 3 Aluminum phosphate, A1(P03)3 2m Aluminum phosphate (berlinite),

AIPO4 (trigonal) 10 Aluminum phosphate, AIPO4

(orthorhombic) 10 Aluminum plutonium, AI3PU 15m

Aluminum rhenium, AlRe 15m

Aluminum rhenium, Ali2Re 15m

Aluminum rhodium, AlRh 15m

Aluminum ruthenium, AlRu 15m

Aluminum ruthenium, AlgRu 15m

Aluminum samarium, AlSm2 15m

Aluminum samarium, AlSm3 15m

Aluminum samarium, Al2Sm 15m

Aluminum samarium, Al3Sm 15m

Aluminum silicate (mullite)

,

AleSi20i3 3m

Aluminum sulfate, Al2(S04)3 15m

Aluminum technetium, AlgTc 15m

Aluminum terbium, Al2Tb 15m

Aluminum terbium, Al2Tb3 15m

Aluminum thorium uranium, AlgThU .... 15m

Aluminum tungsten, AI5W, 6-phase .... 15m

Aluminum tungsten oxide, Al2(W04)3 .. 11m Aluminum vanadium, AI^q^ 15m

Aluminum vanadium, AIj^q ^s^ 15m

Aluminum vanadium, AI23V4 15m

Aluminum vanadium, AI45V7, a'-phase . 15m

Aluminum ytterbium, Al2Yb 15m

Aluminum yttrium, AI3Y 15m

Aluminium yttrium oxide, AIYO3 19m

Aluminium yttrium oxide, AI2Y4O9 .... 19m

Aluminium yttrium oxide, AI5Y3O12 •• 19m

1172

55 61

3 79

4

5

87

7 98

82

5

6

3

38

41

3

4 77

7980

82

8384

86

8890

91

93

9596

98 100

7 102 104

106

108

111 112

7911

Further work on this program is in progress,

and it is anticipated that additional sections

will be issued. Therefore, the cumulative index

here is not necessarily the concluding index

for the project.

m - Monograph 25

.

A mineral name in ( ) indicates a synthetic

sample

.

Ammonium aluminum fluoride,

(NH4)3A1F6 9m

Ammonium aluminum selenate hydrate,

NH4Al(Se04)2-12H20 9m

Ammonium aluminum sulfate,

NH4A1(S04)2 10m

Ammonium aluminum sulfate hydrate

(tschermigite) , NH4AI (SO4) 2 • 1 2H2O 6 Ammonium azide, NH4N3 9 Ammonium beryllium fluoride,

(NH4)2BeF4 3m

Ammonium borate hydrate,

NH4B508-4H20 17m Ammonium boron fluoride, NH4BF4 ... 3m

Ammonium bromide, NH4Br 2 Ammonium cadmium bromide, (NH4)4CdBre 15m

Ammonium cadmium chloride, NH4CdCl3 5m

Ammonium cadmium phosphate hydrate,

NH4CdP04-H20 19m

Ammonium cadmium sulfate,

(NH4)2Cd2(S04)3 7m Ammonium cadmium sulfate hydrate,

(NH4)2Cd(S04)2-6H20 8m

Ammonium calcium sulfate,

(NH4)2Ca2(S04)3 8m

Ammonium cerium nitrate,

(NH4)2Ce(N03)6 18m

Ammonium chlorate, NH4CIO4

(orthorhombic) 7 Ammonium chloride (salammoniac)

,

NH4CI 1 Anmonium chromium sulfate hydrate,

NH4Cr(S04)2-12H20 6 Ammonium cobalt (II) chloride,

NH4C0CI3 6m

Ammonium cobalt fluoride, NH4C0F3 8m

Ammonium copper bromide hydrate,

(NH4)2CuBr4-2H20 10m

Ammonium copper chloride, NH4CUCI3 7m Ammonium copper chloride hydrate

>

(NH4)2CuCl4-2H20 12m

Ammonium copper fluoride, NH4CUF3 11m Ammonium gallium sulfate hydrate,

NH4Ga(S04)2 •I2H2O 6 Ammonium germanium fluoride,

(NH4)2GeF6 6 Ammonium hydrogen arsenate,

NH4H2ASO4 16m

Ammonium hydrogen carbonate

(teschemacherite) , (NH4)HC03 9 Ammonium hydrogen phosphate,

NH4H2PO4 4 Ammonium iodate, NH4IO3 10m

Ammonium iodide, NH4I 4 Ammonium iridium chloride,

(NH4)2lrCl6 8 Ammonium iron chloride hydrate,

(NH4)2FeCl5-H20 I4m Ammonium iron fluoride, (NH4)3FeF6 9m

Ammonium iron sulfate, NH4Fe(S04)2 10m

Ammonium iron sulfate hydrate,

NH4Fe(S04)2-12H20 6 Ammonium lead chloride, (NH4)2PbClg 11m Ammonium magnesium aluminum fluoride,

NH4MgAlF6 10m

5

6

5

34

5

76 49

9

6

13

5

5

7

6

6

59

7

5

9

6

7

64

7 56

6

7

10

10

120
Vol. or

Sec. Page

Ammonium magnesium chromium oxide

hydrate, (NH4)2Mg(Cr04)2 -eHzO 8m 10 Ammonium magnesium phosphate hydrate

(struvite), NH4MgP04 • 6H2O 3m 41 Ammonium manganese chloride hydrate,

(NH4)2MnCl4-2H20 11m 11 Ammonium manganese(II) fluoride,

NH4M11F3 5m 8 Ammonium manganese sulfate,

(NH4)2Mn2 (804)3 7m 8 Ammonium manganese sulfate hydrate,

(NH4)2Mn(S04)2-6H20 8m 12 Ammonium mercury chloride, NH4HgCl3 8m lA Ammonium molybdenum oxide phosphate

hydrate, (NH4 ) 3 (M0O3) j 2PO4 • AHgO .. 8 10 Ammonium nickel(ll) chloride,

NH4NiCl3 6m 6 Ammonium nickel chromium oxide

hydrate, (NH4)2Ni(Cr04)2 •6H2O 8m 16 Ammonium nickel sulfate hydrate,

(NH4)2Ni(S04)2-6H20 17m 9 Ammonium nitrate (nitrammite)

,

NH4NO3 7 A Ammonium osmium bromide, (NH4)20sBre 3 71 Ammonium osmium chloride,

(NH4)20sCl6 Im 6 Ammonium palladium chloride,

(NH4)2PdCl4 6 6 Ammonium palladium chloride,

(NH4)2PdCl6 8 7 Ammonium platinum bromide,

(NH4)2PtBr6 9 6 Ammonium platinum chloride,

(NH4)2PtCl6 5 3 Ammonium potassium iron chloride

hydrate (kremersite)

,

(NH4,K)2FeCl5-H20 I4m 8 Ammonium rhenium oxide, NH4Re04 ... 9 7 Ammonium selenium bromide,

(NH4)2SeBr6 8 4 Ammonium silicon fluoride

(cryptohalite) , (NH4)2SiF6 5 5 Ammonium strontium chromium oxide,

(NH4)2Sr(Cr04)2 l^m 9 Ammonium strontium sulfate,

(NH4)2Sr(S04)2 15m 11 Ammonium sulfate (mascagnite)

,

(NH4)2S04 9 8 Ammonium sulfate, (NH4)2S203 17m 11 Ammonium sulfate, (^4)28208 17m 13 Ammonium tellurium bromide,

(NH4)2TeBr6 8 5 Ammonium tellurium chloride,

(NH4)2TeCl6 8 8 Ammonium tin chloride, (NH4)2SnCl6 5 4 Ammonium tin fluoride, NH4SnF3 .... 18m 8 Ammonium titanium fluoride,

(NH4)2TiF6 16m 10 Ammonium vanadium oxide, NH4VO3 ... 8 9 Ammonium zinc chloride, (NH4)3ZnCl5 15m 12 Ammoniiun zinc fluoride, NH4ZnI'3 ... 8m 18 Ammonium zirconium fluoride,

(NH4)3ZrF7 6 14 Antiomonic acid, Hi4Sbi402 1 (OH) 42 . I6m 13 Antimony, Sb 3 14 Antimony bromide, a-SbBr3 15m 13

Vol. or

Sec. Page

Antimony cerium, CeSb 4m 40 Antimony cobalt, CoSb 15m 121 Antimony cobalt, CoSb2 15m 122 Antimony cobalt titanium, CoSbTi . . 15m 124 Antimony cobalt vanadium, CoSbV ... 15m 125 Antimony dysprosium, DySb 4m 41 Antimony erbium, ErSb 4m 41 Antimony(IIl) fluoride, SbF3 2m 4 Antimony gadolinium, GdSb 4m 42 Antimony gallium, GaSb 6 30 Antimony gold (aurostibite ) , AuSb2 7 18 Antimony indium, InSb 4 73 Antimony(lII) iodide, Shl^ 6 16 Antimony iron titanium oxide

hydroxide, derbylite,

SbFe4Ti30i3(0H) 16m 89 Antimony lanthanum, LaSb 4m 42 Antimony neodymium, NdSb 4m 43 Antimony(lIl ) oxide (senarmontite)

,

SbzOs (cubic) 3 31 Antimony (111 ) oxide, valentinite,

Sb203 (orthorhombic) 10 6 Antimony(lV) oxide (cervantite)

,

Sb204 10 8 Antimony oxide, Sb60]^3 l6m 14 Antimony praseodymium, PrSb 4m 43 Antimony scandium, SbSc 4m 44 Antimony selenide, Sb2Se3 3m 7 Antimony silver sulfide, AgSbS2

(cubic) 5m 48 Antimony silver sulfide (miargyrite)

,

AgSbS2 (monoclinic) 5m 49 Antimony silver sulfide (pyrargyrite)

,

Ag3SbS3 (trigonal) 5m 51 Antimony silver telluride, AgSbTe2 3m 47 Antimony(IIl) sulfide (stibnite),

Sb2S3 5 6 Antimony telluride, Sb2Te3 3m 8 Antimony terbium, SbTb 5ra 61 Antimony thorium, SbTh 4m 44 Antimony thulium, SbTm 4m 45 Antimony tin, SbSn I6m 15 Antimony ytterbium, SbYb 4m 45 Antimony yttrium, SbY 4m 46

Arsenic, As 3 6 Arsenic bromide, AsBrs I8m 9 Arsenic cerium, AsCe 4m 51 Arsenic(III) iodide, ASI3 13ra 7 Arsenic oxide (arsenolite)

,

AS2O3 (cubic) 1 51 Arsenic oxide, claudetite, AS2O3

(monoclinic) 3m 9 Barium, Ba 4 7 Barium aluminum oxide, BaAl204 .... 5m 11 Barium aluminum oxide, Ba3Al206 ... 12m 7 Barium aluminum titanium oxide,

BaAl6Ti0i2 19m 14 Barium aluminum titanium oxide,

Bai.23Al2.46Ti5.540l6 ^^m 10 Barium aluminum titanium oxide,

Ba3AlioTi02o 19m 16 Barium arsenate, Ba3(As04)2 2m 6 Barium borate, BaB407 4m 6 Barium borate, high form, BaB204 .. 4m 4 Barium borate, BaBgOjs 7m 10 Barium boride, BaBg 19m 18

121
Vol. or

Sec. Page

Vol . or

Sec. Page

Barium bromate hydrate,

Ba(Br03)2-H20 8m 19 Barium bromide, BaBr2 10m 63

Barium bromide fluoride, BaBrF .... 10m 10 Barium bromide hydrate, BaBr2"H20 3m 10 Barium bromide hydrate, BaBr2*2H20 I6m 16 Barium cadmium chloride hydrate,

BaCdCl4-4H20 15m 14 Barium cadmium phosphate,

BaCd(P03)4 20m 7 Barium calcium nitrate,

Ba.25Ca.75(N03)2 12m 38 Barium calcium nitrate,

Ba,5oCa.5o(N03)2 12m 38 Barium calcium nitrate,

Ba 75Ca 25(N03)2 12m 38 Barium calcium tungsten oxide,

BagCaWOg 9m 10 Barium carbonate (witherite), BaC03

(orthorhombic) 2 54

Barium carbonate, BaCOs (cubic)

at 1075 °C 10 11 Barium chlorate, 63(0103)2 l6m 17 Barium chlorate hydrate,

Ba(C103)2 •H2O 8m 21 Barium chlorate hydrate,

Ba(C104)2-3H20 2m 7 Barium chloride, BaCl2, (cubic) ... 9m 13 Barium chloride, BaCl2,

(orthorhombic) 9m 11 Barium chloride fluoride, BaClF ... 10m 11 Barium chloride hydrate, BaCl2'2H20 12m 9 Barium chromium oxide,

Ba3(Cr04)2 15m 16 Barium fluoride, BaF2 1 70 Barium hydroxide phosphate,

Ba5(0H) (P04)3 11m 12 Barium iodide, Bal2 10m 66 Barium iodide hydrate, Bal2*2H20 .. I6m 18 Barium lead chloride, BaPbCl4 11m 13 Barium lead nitrate,

Ba.33Pb.67(N03)2 12m 40

Barium lead nitrate,

Ba,67Pb.33(N03)2 12m 40

Barium manganese oxide, BaMn04 .... 18m 11 Barium manganese oxide,

Ba(Mn04)2 15m 17 Barium molybdenum oxide, BaMo04 ... 7 7 Barium molybdenum oxide, Ba2Mo05 .. 12m 10 Barium neodymium titanium oxide,

BaNd2Ti30io 18m 12 Barium neodymium titanium oxide,

BaNd2Ti50i4 19m 19 Barium nitrate (nitrobarite)

Ba(N03)2 11m 14 Barium nitrite hydrate,

Ba(N02)2-H20 15m 18- Barium oxide, BaO 9m 63

Barium oxide, Ba02 6 18 Barium phosphate, Ba2P207,

(high form) I6m 19 Barium phosphate, Ba3(P04)2 12m 12 Barium selenide, BaSe 5m 61 Barium silicate, p-BaSiOs 13m 8 Barium silicate (sanbornite)

p-BaSigOs 13m 10 Barium silicate, 6328104 13m 12

Barium silicate, Ba2Si30g 13m 13 Barium silicate, 6338105 13m 15 Barium silic3te, 833815013 13m 17 Barium silicon fluoride, BaSiFg ... 4m 7 Barium strontium nitrate,

Ba^25Sr^75(N03)2 12m 42 Barium strontium nitrate,

Ba.5o8r,5o(N03)2 12m 42 Barium strontium nitrate,

Ba 75Sr^25(N03)2 12m 42 Barium sulfate (baryte), BaS04 .... 10m 12 Barium sulfide, BaS 7 8 Barium thiosulfate hydr3te,

B3S203-H20 I6m 20 Barium tin oxide, B3Sn03 3m 11 Barium titanium oxide, BaTi03

(hexagonal) 20m 9 Barium titanium oxide, BaTi03

(tetragonal) 3 45 Barium titanium oxide, 63X1305 .... 20m 11 Barium titanium oxide, 63X1409 .... 20m 13 Barium titanium phosphate,

BaXi4(P04)6 20m 15 Barium titanium silicate (fresnoite),

632X181208 9m 14 B3rium tungsten oxide, 6aW04 7 9 Barium tungsten oxide, Ba2W05 12m 14 Barium tungsten oxide, Ba3W0e 19m 21 Barium vanadium oxide, Ba3(V04)2 •- I4m 10 Barium zirconium oxide, BaZr03 .... 5 8 6arium zirconium phosphate,

BaZr4(P04)6 20m 17 Beryllium, alpha. Be 9m 64

Beryllium aluminum oxide

(chrysoberyl) , 6eAl204 9 10 Beryllium aluminum silicate, beryl,

Be3Al2(Si03)6 9 13 Beryllium calcium iron magnesium

aluminum phosphate hydroxide

hydrate, roscherite (monoclinic)

Be2C3(Fe,3Mg,7)2Al,67(P04)3(0H)3-2H20 I6m 96 Beryllium C3lcium manganese

aluminum iron phosph3te hydroxide

hydrate, roscherite (triclinic)

6e4Ca2(Mn3 9iMg_04C3.o5) (Al. 13^6.42

Mn,i2)(P04)6(0H)4-6H20 16m 100 6eryllium C3lcium oxide,

Bei7Cai2029 ^9 Beryllium carbide, ee2C 19m 23 6eryllium chromium oxide, BeCr204 10 12 6eryllium cobalt, eeCo 5m 62 6eryllium germanium oxide, Be2Ge04 10 13 Beryllium lanthanum oxide, Be2La205 9m 65 Beryllium niobium, Be2Nb 7m 92 Beryllium nitride, Be3N2 18m 15 eeryllium oxide (bromellite) , 6e0 1 36 6eryllium palladium, BePd 5m 62

Beryllium silic3te, phen3kite,

Be28i04 8 11 Beryllium sulfate, 6eS04 15m 20

6ismuth, 61 3 20 Bismuth bromide oxide, BiOBr 8 14 Bismuth cerium, BiCe 4m 46 Bismuth chloride oxide (bismoclite)

eioci 4 54

6ismuth dysprosium, 6iDy 4m 47 Bismuth erbium, BiEr 4m 47

122
Vol. or

Sec. Page

Vol. or

Sec. fage

Bismuth fluoride, BiT^ Im 7 Bismuth germanium oxide,

Bi4(Ge04)3 20m 18 Bismuth germanium oxide,

Bii2Ge02o 20m 19 Bismuth holmium, BiHo 4m 48 Bismuth(III) iodide, Bils 6 20 Bismuth iodide oxide, BiOI 9 16 Bismuth lanthanum, BiLa 4m 48 Bismuth neodymium, BiNd 4m 49 Bismuth oxide (bismite), a-Bi203 .. 3m 17 Bismuth phosphate, BiP04

(monoclinic) 3m 11 Bismuth phosphate, BiP04 (trigonal) 3m 13 Bismuth praseodymium, BiPr 4m 49 Bismuth selenide (paraguanajuatite)

,

Bi2Se3 18m 16 Bismuth sulfide (bismuthinite)

,

BigSa 5m 13 Bismuth telluride, BiTe 4m 50

Bismuth telluride (tellurobismuthite), Bi2Te3 3m 16 Bismuth titanium oxide, Bii2Ti02o • 20m 21 Bismuth vanadium oxide, high form,

BiV04 (monoclinic) 3m 14 Bismuth vanadium oxide, low form,

BiV04 (tetragonal) 3m 14 Boron nitride, BN 20m 22 Boron oxide, B2O3, phase 1 10m 70 Boron phosphate, BPO4 20m 23 Cadmium, Cd 3 10 Cadmium aluminum oxide, CdAl204 ... 20m 24 Cadmium ammine chloride,

Cd(NH3)2Cl2 10m 14 Cadmium borate, CdB407 I6m 24 Cadmium bromate hydrate,

Cd(Br03) •2H2O 17m 14 Cadmium bromide, CdBr2 9 17 Cadmium bromide chloride, CdBrCl .. 11m 15 Cadmium carbonate (otavite), CdC03 7 11 Cadmium cerium, CdCe 5m 63 Cadmium chlorate hydrate,

Cd(C104)2 •6H2O 3m 19 Cadmium chloride, CdCl2 9 18 Cadmium chromium oxide, CdCr204 ... 5m 16 Cadmium copper, CdgCus 11m 81 Cadmium cyanide, Cd(CN)2 2m 8 Cadmium fluoride, CdF2 10m 15 Cadmium iodide, a-Cdl2 19m 24 Cadmium iron oxide, CdFe204 9m 16 Cadmium lanthanum, CdLa 5m 63 Cadmium manganese oxide, CdMn204 .. 10m 16 Cadmium molybdenum oxide, CdMo04 ., 6 21 Cadmium nitrate hydrate,

Cd(N03)2-4H20 7m 93

Cadmium oxide, CdO 2 27 Cadmium oxide, CdO (ref. standard) 8m 2 Cadmium phosphate, Cd2P207 I6m 26 Cadmium phosphate, Cd3(P04)2 I6m 27 Cadmium praseodymium, CdPr 5m 64

Cadmium selenide (cadmoselite)

,

CdSe (hexagonal) 7 12 Cadmium silicate, Cd2Si04 13m 19 Cadmium silicate, CdsSiOs 13m 20 Cadmium sulfate, CdS04 3m 20 Cadmium sulfate hydrate, CdS04*H20 6m 10 Cadmium sulfate hydrate,

3CdS04-8H20 6m 8

Cadmium sulfide (greenocki te) , CdS 4 15 Cadmium telluride, CdTe 3m 21 Cadmium titanium oxide, CdTiOs .... 15m 21 Cadmium tungsten oxide, CdW04 2m 8 Cadmium zinc phosphate,

Cdo.9Zn2.i(P04)2 20m 26 Calcium, Ca 9m 68 Calcium aluminum germanium oxide,

Ca3Al2(Ge04)3 10 15 Calcium aluminum hydroxide,

Ca3Al2(0H)i2 11m 16 Calcium aluminum iron oxide

(brownmillerite) , Ca4Al2Fe20io • •• l^"" 28 Calcium aluminum oxide, Ca3Al20g .. 5 10 Calcium aluminum oxide (mayenite),

Cai2Ali4033 9 20 Calcium aluminum oxide hydrate,

Ca4Al60i3-3H20 19m 25 Calcium aluminum silicate hydrate,

chabazite, Ca2Al4Si8024 • I2H2O .... 19m 27 Calcium aluminum sulfate hydrate

(ettringite) , Ca6Al2S30i8 • 3IH2O .. 8 3 Calcium borate, CaB204 18m 17 Calcium borate, CaB204

(calculated pattern) 15m 136 Calcium borate hydrate,

hexahydroborite, Ca[B(OH) 4]

2 • 2H2O I6m 104 Calcium boride, CaBg I6m 29 Calcium bromide, CaBr2 11m 70 Calcium bromide hydrate, CaBr2'6H20 8 15 Calcium carbonate (aragonite)

,

CaC03 (ortho rhombic ) 3 53 Calcium carbonate (aragonite),

CaC03 (orthorhombic , calculated

pattern) 14m 44 Calcium carbonate (calcite)

,

CaCOs (hexagonal) 2 51 Calcium chloride (hydrophilite)

,

CaClg 11m 18 Calcium chloride fluoride, CaClF .. 10m 17 Calcium chloride hydrate,

CaCl2-4H20 11m 73 Calcium chloride hydrate

(antarcticite) , CaCl2-6H20 12m 16 Calcium chromium germanium oxide,

Ca3Cr2(Ge04)3 10 16 Calcium chromium iron titanium

oxide, loveringite, Ca _ 72RE . 33 (Y

,

Th,U,Pb) .05Ti12.48Fe3.38Cr2.24

Mg.92Zr.58A1.39V^2iMn.04038 16m 106 Calcium chromium oxide (chromatite)

,

CaCr04 7 13 Calcium chromium oxide, Ca3(Cr04)2 15m 22 Calcium chromium silicate

(uvarovite), Ca3Cr2 (Si04) 3 10 17 Calcium cyanamide, CaCN2 18m 19 Calcium fluoride (f luorite) , CaF2 . 1 69 Calcium fluoride phosphate

(fluorapatite) , Ca5F(P04)3 3m 22 Calcium fluoride phosphate hydrate,

CaFP03-2H20 15m 24 Calcium gallium germanium oxide,

Ca3Ga2(Ge04)3 10 18 Calcium hydrogen phosphate hydrate,

Ca8H2(P04)6-5H20 13m 21 Calcium hydrogen phosphate sulfate

hydrate, Ca2HP04S04 •4H2O I6m 109

123
Vol. or

Sec. Page

Calcium hydroxide (portlandite)

,

Ca(0H)2 1 58 Calcium iodate (lautarite),

Ca(I03)2 l^m 12 Calcium iodate hydrate,

Ca(I03)2-6H20 14m 13 Calcium iron germanium oxide,

Ca3Fe2(Ge04)3 10 19 Calcium iron oxide, CaFe204 18m 20 Calcium iron silicate (kirschsteinite)

,

CaFeSi04 20m 28 Calcium iron silicate (andradite),

Ca3Fe2Si3022 9 22 Calcium iron silicate

hydroxide, julgoldite,

Ca2Fe3Si30io(OH,0)2(OH)2 10m 72 Calcium lead nitrate,

Ca^33Pb_67(N03)2 12m 44 Calcium lead nitrate,

Ca _67Pb.33(N03)2 12m 44 Calcium magnesium silicate (monticellite), CaMgSi04 20m 30 Calcium magnesium silicate

(diopside), CaMg(Si03)2 5m 17 Calcium magnesium silicate (akermanite)

,

Ca2MgSi207 20m 32 Calcium magnesium silicate (merwinite)

,

Ca3Mg(Si04)2 20m 34 Calcium manganese phosphate fluoride,

Ca8Mn2(P04)6F2 20m 35 Calcium molybdenum oxide

(powellite), CaMo04 6 22 Calcium nitrate, Ca(N03)2 7 14 Calcium oxide (lime), CaO 1 43 Calcium oxide (lime), CaO (calculated pattern) 14m 49 Calcium oxide phosphate, Ca40(P04)2 12m 17 Calcium phosphate, f3-Ca2P207 ''m 95 Calcium platinum oxide, Ca4Pt0g ... 10m 18 Calcium selenide, CaSe 5m 64

Calcium silicate (larnite),

p-Ca2Si04 19m 29 Calcium silicon fluoride hydrate,

CaSiF6-2H20 19m 31 Calcium strontium nitrate,

Ca 33Sr_67(N03)2 12m 46 Calcium strontium nitrate,

Ca.67Sr,33(N03)2 12m 46 Calcium sulfate (anhydrite) , CaS04 4 65 Calcium sulfate hydrate (bassanite),

CaS04-0.5H20 18m 22 Calcium sulfate hydrate (gypsum)

,

CaS04-2H20 17m 16 Calcium sulfide (oldhamite) , CaS . . 7 15 Calcium telluride, CaTe 4m 50

Calcium tin oxide, CaSnOs 17m 18 Calcium titanium oxide

(perovskite) , CaTiOs 9m 17 Calcium tungsten oxide, CasWOg .... 9m 19 Calcium tungsten oxide, scheelite,

CaW04 6 23 Calcium zirconium phosphate,

CaZr4(P04)6 20m 36 Carbon, diamond, C 2 5 Cerium arsenate, CeAs04 4m 8 Cerium(III) chloride, CeClg Im 8 Cerium cobalt, CeCo2 13m 50

Cerium cobalt, Ce24C0]^i 13m 51

124

Vol. or

Sec. Page

Cerium copper, CeCug 7m 99 Cerium(III) fluoride, CeF3 8 17 Cerium gallium, CeGa2 13m 54

Cerium magnesium, CeMg 5m 65 Cerium magnesium, CeMg3 13m 56

Cerium nickel, CeNi2 13m 58

Cerium niobium oxide, CeNb04 18m 25 Cerium niobium titanium oxide

(aeschynite ) , CeNbTiOg 3m 24 Cerium nitrate hydrate.

Ce(N03)3-6H20 17m 20 Cerium nitride, CeN 4m 51 Cerium oxide, Ce02 20m 38 Cerium(IV) oxide (cerianite) , Ce02 1 56

Cerium phosphide, CeP 4m 52

Cerium tantalum oxide, CeTa04 18m 27 Cerium thallium. Cell 13m 59 Cerium thallium, CeTl3 13m 60 Cerium thallium, Ce3Tl 13m 61 Cerium(III) vanadium oxide, CeV04 Im 9 Cerium zinc, CeZn 5m 65 Cerium zinc, CeZn3 14m 50

Cerium zinc, CeZus 14m 53

Cerium zinc, Ce2Zni7 14m 55 Cesium aluminum sulfate hydrate.

CsAl(S04)2 •I2H2O 6 25 Cesium antimony fluoride, CsSbFg .. 4m 9 Cesium beryllium fluoride, CsBeFs 9m 69 Cesium boron fluoride, CSBF4 8 22 Cesium bromate, CsBr03 8 18 Cesium bromide, CsBr 3 49 Cesium cadmium bromide, CsCdBr3

(hexagonal) 10m 20 Cesium cadmium chloride, CsCdCls

(hexagonal) 5m 19 Cesium calcium chloride, CsCaCls .. 5m 21 Cesium calcium fluoride, CsCaFs ... 8m 25 Cesium calcium sulfate.

Cs2Ca2(S04)3 7m 12 Cesium cerium chloride, Cs2CeCl6 •• 14m 58

Cesium chlorate, CSCIO3 8 20 Cesium chlorate, CSCIO4,

Im 10 Cesium chloride, CsCl 2 44 Cesium chromium oxide, Cs2Cr04 .... 3m 25 Cesium chromium sulfate hydrate.

CsCr(S04)2-12H20 8 21 Cesium cobalt(II) chloride, CSC0CI3 6m 11 Cesium cobalt chloride, CS2C0CI4 .. 11m 19 Cesium copper(Il) chloride, CsCuCls 5m 22 Cesium copper chloride, CS2CUCI4 .. 11m 20 Cesium copper sulfate hydrate.

CS2Cu(S04)2 •6H2O 7m 14 Cesium fluoride, CsF 3m 26 Cesium gallium sulfate hydrate.

CsGa(S04)2-12H20 8 23 Cesium germanium fluoride, Cs2GeF6 5 17 Cesium hydrogen phosphate.

CsH5(P04)2 20m 39 Cesium iodate, CSIO3 15m 26 Cesium iodide, Csl 4 47 Cesium iodide, CSI3 19m 33

7m 103 Cesium iodine chloride, CSICI2 .... 3 50

Cesium iron chloride hydrate.

Cs2FeCl5-H20 14m 14 Cesium iron sulfate hydrate.

Cs2Fe(S04)2 •6H2O 7m 16
Vol. or

Sec. Page

Vol. or

Sec. Page

Cesium iron sulfate hydrate,

CsFe(S04)2-12H20 6 28 Cesium lead(II) chloride, CsPbCla

(tetragonal) 5m 24 Cesium lead fluoride, CsPbFs ...... 8m 26 Cesium lithium cobalt cyanide,

CsLiCo(CN)6 10m 79 Cesium lithium fluoride, CsLiF2 ... 7m 105 Cesium magnesium chromium oxide,

Cs2Mg2(Cr04)3 8m 27 Cesium magnesium chromium oxide

hydrate, Cs2Mg(Cr04)2 -61120 8m 29 Cesium magnesium sulfate hydrate,

Cs2Mg(S04)2-6H20 7m 18 Cesium magnesium titanium oxide,

CSi.45M80.724Ti7.270iG 18m 29 Cesium manganese fluoride, CsMnfs 10m 21 Cesium manganese sulfate hydrate,

Cs2Mn(S04)2-6H20 7m 20 Cesium mercury chloride, CsHgCl3 .. 7m 22 Cesium molybdenum oxide,

CS2M03O10 19m 35 Cesium nickel(II) chloride, CsNiClg 6m 12 Cesium nickel sulfate hydrate,

Cs2Ni(S04)2-6H20 7m 23 Cesium nitrate, CsNOg 9 25 Cesium osmium(IV) bromide, Cs20sBr6 2m 10 Cesium osmium chloride, Cs20sClg .. 2m 11 Cesium platinum bromide, Cs2PtBre - 8 19 Cesium platinum chloride, Cs2PtCl6 5 14 Cesium platinum fluoride, Cs2PtF6 . 6 27 Cesium selenium bromide, Cs2SeBr6 . 8 20 Cesium silicon fluoride, Cs2SiF6 .. 5 19 Cesium strontium chloride, CsSrCls 6m 13 Cesium sulfate, CS2SO4 7 17 Cesium tellurium bromide, Cs2TeBr6 9 24 Cesium tin chloride, Cs2SnCl6 5 16 Cesium vanadium sulfate hydrate,

CsV(S04)2-12H20 Im 11 Cesium zinc sulfate hydrate,

Cs2Zn(S04)2-6H20 7m 25 Cesium zirconium phosphate

CsZr2(P04)3 20m 41 Chromium, Cr 5 20 Chromium boride, ^-CrB 17m 22 Chromium boride, CrB2 19m 37 Chromium boride, Cr5B3 18m 30 Chromium chloride, CrCl2 11m 77 Chromium chloride, CrCl3 17m 23 Chromium chloride hydrate, CrCl3 '61120 I6m 31 Chromium cobalt niobium, CoCrNb ... 15m 140

Chromium cobalt silicide,

CogCrisSig l^m 62

Chromium cobalt tantalum, CoCrTa . . 15m 142 Chromium fluoride, CrF2 10m 81 Chromium fluoride, Cr2F5 7m 108

Chromium(III) fluoride hydrate,

CrF3-3H20 5m 25 Chromium iridium, Cr3lr 6m 14 Chromium iron oxide,

Cri.3Feo,703 17m 24 Chromium niobium oxide, CrNb04 .... 19m 38 Chromium oxide, Cr03 17m 25 Chromium(III) oxide, Cr203 5 22 Chromium phosphate, a-CrP04 2m 12 Chromium phosphate, p-CrP04 9 26

Chromium phosphate hydrate,

CrP04-6H20 15m 27

Chromium rhodium, Cr3Kh 6m 15 Chromium silicide, CrgSi 6 29 Chromium sulfate, Cr2(S04)3 I6m 33 Chromium tungsten oxide, CrW04 .... 20m 43

Cobalt, Co (cubic) 4m 10 Cobalt aluminum oxide, C0AI2O4 .... 9 27 Cobalt ammine iodide, Co(NH3)6l3 .. 10m 83 Cobalt antimony oxide, CoSb20e .... 5m 26 Cobalt arsenate hydrate (erythrite),

Co3(As04)2-8H20 19m 39 Cobalt arsenide, C0AS2 4m 10 Cobalt arsenide (skutterudite)

,

C0AS3 10 21 Cobalt borate, Co3(B03)2 12m 20 Cobalt bromide hydrate, CoBr2-6H20 12m 21 Cobalt(II) carbonate (sphaerocobaltite), C0CO3 10 24 Cobalt chlorate hydrate,

Co(C104)2-6H20 3m 28 Cobalt chloride hydrate, CoCl2"2H20 11m 22 Cobalt chloride hydrate, CoCl2*6H20 11m 23 Cobalt chromium oxide, CoCr204 .... 9m 21 Cobalt copper tin, CoCu2Sn 14m 64

Cobalt dysprosium, Co2Dy 13m 63 Cobalt erbium, Co2Er 13m 64

Cobalt erbium, Co7Er2 13m 65 Cobalt fluoride, CoFg 18m 31 Cobalt fluoride, C0F2 (calculated

pattern) 10m 85 Cobalt fluoride hydrate, CoF2-4H20 11m 24 Cobalt gadolinium, CoGd3 13m 68

Cobalt gadolinium, Co2Gd 13m 71 Cobalt gadolinium, Co7Gd2 13m 72 Cobalt gallium hafnium, Co2GaHf . . . I4m 65 Cobalt gallium manganese, Co2GaMn 13m 75 Cobalt gallium niobium,

Coj^sGao.sNb 15m 144 Cobalt gallium niobium, Co2GaNb . . . I4m 66 Cobalt gallium oxide, CoGa204 10 27 Cobalt gallium tantalum,

Coi sGao.sTa 15m 146 Cobalt gallium tantalum, Co2GaTa 13m 76 Cobalt gallium titanium, Co2GaTi . . 13m 77 Cobalt gallium vanadium, Co2GaV . . . 13m 78 Cobalt germanium, Co3Ge2 I4m 67 Cobalt germanium, Co^Gey 15m 148 Cobalt germanium hafnium,

CoieGevHfg l^m 69 Cobalt germanium manganese,

Co2GeMn 13m 79 Cobalt germanium niobium,

C01.5Geo.5Nb 15m 150 Cobalt germanium niobium,

CoieGeyNbg I4m 71 Cobalt germanium oxide, Co2Ge04 ... 10 27 Cobalt germanium tantalum,

C01.5Geo.5Ta 15m 152 Cobalt germanium tantalum,

CoigGeyTae l^m 73 Cobalt germanium titanium, Co2GeTi 13m 80 Cobalt hafnium tin, Co2HfSn 14m 75 Cobalt holmium, C02H0 I4m 76 Cobalt holmium, C09.2H012 15m 154 Cobalt hydroxide, p-Co(0H)2 15m 29 Cobalt indium, Coln3 13m 81 Cobalt iodide, C0I2 ^"i 52 Cobalt iron arsenide

(safflorite) , CoFeAs4 10 28

125
Cobalt iron oxide, CoFe204

Cobalt iron sulfide, CogFeSg

Cobalt iron vanadium,

CO4 .35^613 ,47Vi2 . 18 Cobalt lanthanum, CoLas

Cobalt lutetium, C02LU

Cobalt magnesium, Co2Mg

Cobalt manganese silicide, Co2MnSi

Cobalt mercury thiocyanate,

Co[Hg(CNS)4]

Cobalt molybdenum, C02M0

Cobalt molybdenum, C02M03

Cobalt molybdenum, CoyMog

Cobalt molybdenum silicide,

Co3Mo2Si

Cobalt neodymium, Co2Nd

Cobalt nickel tin,

Co,75Ni_75Sn_75

Cobalt niobium silicide, Co3Nb4Si7

Cobalt niobium tin, Co2NbSn

Cobalt nitrate hydrate,

a-Co(N03)2-6H20

Cobalt(II) oxide, CoO Cobalt(II,III) oxide, C03O4

Cobalt phosphate, Co(P03)2

Cobalt phosphate hydrate,

C03(P04)2 •8H2O

Cobalt phosphide, CoP Cobalt phosphide, C0P3

Cobalt phosphide, C02P

Cobalt platinum, CoPt (disordered)

Cobalt platinum, CoPt (ordered) . .

.

Cobalt platinum, CoPt3

(disordered)

Cobalt platinum, CoPt3 (ordered) .

.

Cobalt plutonium, C0PU2

Cobalt plutonium, C0PU3

Cobalt plutonium, CoPug

Cobalt plutonium, C02PU

Cobalt plutonium, C03PU

Cobalt plutonium, C027PU2

Cobalt praseodymium, Co2Pr

Cobalt rhodium sulfide, CogRhSg ... Cobalt ruthenium sulfide, CcgRuSg . Cobalt samarium, Co2Sm

Cobalt samarium, CosSm

Cobalt silicate, Co2Si04

(orthorhombic)

Cobalt silicon fluoride hydrate,

CoSiF6-6H20

Cobalt sulfate, p-CoS04

Cobalt tantalum silicide,

Coi6Ta6Si7

Cobalt telluride, CoTe

Cobalt thorium, Coi7Th2

Cobalt tin, Co3Sn2

Cobalt tin oxide, Co2Sn04

Cobalt tin vanadium, Co2SnV

Cobalt tin zirconium, Co2SnZr

Cobalt titanium oxide, CoTiOs

Cobalt titanium silicide,

CoieTigSi?

Cobalt tungsten oxide, C0WO4

Cobalt vanadium silicide, Co2VSi .. Copper, Cu Copper ammine selenate,

Cu(NH3)4Se04 -. . .

Vol. or Sec Page

9m 22 14m 77

14m 79

1 3m 0 J 13m 86

15m 156 14m 81

2m

14m 82 15m 158 15m 160

15m 162 13m 87

13m 88 15m 164

15m 166

1 2m 22

9 28

9 29 13m 23

19m 40 14m 83

l4m 0 J 18m 32 15m 167 15m 168

15m 169 15m 170 14m 87 15m 171 14m 89 14m 91 14m 92 14m 94

14m 97 14m 98 14m 100

13m 90

4m T 1 1 1

3m 27 2m 14

14m 102 20m 45 12m 64

13m 92 15m

15m 174

15m 175 4m 13

1 Am4m 13 15m 176

1 15

10m 87

Vol . or

Sec. Page

Copper ammine sulfate hydrate,

Cu(NH3)4S04-H20

Copper antimony oxide, CuSb20g .... Copper arsenate (trippkeite)

,

CUAS2O4

Copper(l) bromide, CuBr

Copper(l) chloride (nantokite),

CuCl

Copper chloride hydrate

(eriochalcite) , CUCI2 '21120 Copper chromium oxide, CuCr204 .... Copper fluoride hydrate, CuF2*2H20

Copper hydrogen phosphite hydrate,

CuHP03-2H20

Copper hydroxide carbonate,

azurite, CU3 (OH) 2 (CO3) 2 Copper hydroxide carbonate

(malachite), Cu2(0H)2C03

Copper hydroxide phosphate

(libethenite) , Cu2(0H)P04

Copper(I) iodide (marshite) , Cul .. Copper iron oxide, CuFe204

Copper lead hydroxide sulfate,

linarite, CuPb(0H)2 (SO4)

Copper mercury iodide, p-Cu2Hgl4 .. Copper(l) oxide (cuprite), CU2O ... Copper(ll) oxide (tenorite) , CuO .. Copper phosphate, Cu(P03)2

Copper phosphate, 0(-Cu2P207

Copper sulfate (chalcocyanite)

,

CUSO4

Copper(ll) sulfide (covellite), CuS Copper uranium oxide, CUUO4

Dichlorotetraaquochromium (111)

chloride dihydrate,

[Cr(H20)4Cl2j C1-2H20

Dysprosium arsenate, DyAs04

Dysprosium arsenide, DyAs

Dysprosium gallium oxide,

Dy3Ga50i2

Dysprosium gold, DyAu

Dysprosium nitride, DyN

Dysprosium oxide, Dy203

Dysprosium silver, DyAg

Dysprosium telluride, DyTe

Dysprosium vanadium oxide, DyV04 .. Erbium arsenate, ErAs04

Erbium arsenide, ErAs Erbium gallium oxide, Er3Ga50i2 ••• Erbium iron, ErFe2

Erbium manganese oxide, ErMnOs .... Erbium nitride, ErN Erbium oxide, Er203

Erbium phosphate, ErP04

Erbium silver, ErAg

Erbium telluride, Erie

Erbium vanadium oxide, ErV04

Europium arsenate, EUASO4

Europium(lll ) chloride, EUCI3

Europium chloride oxide, EuClO .... Europium gallium oxide,

Eu3Ga50i2

Europium nitride, EuN Europium oxide, EuO

Europium oxide, EU2O3 (cubic)

Europium oxide, EU2O3 (raonoclinic)

.

Europium phosphate, EUPO4

10m

5m

16m

4

18m 20m

11m

11m

10

10

17m

4 20m

16m

20m

2

1 14m

7m

3m

4 10m

16m

3m

4m

2m

5m

4m

9 5m

4m4m

3m

4m

Im 19m

2m

4m

8

9 5m

4m

5m

3m

Im

Im

2m

4m

4m

20m

20m

11m

90

27

120

36

35

3346

25

83

30

31

30

3847

34

48

23

49

15 113

29

1393

313053

156653

30

6654

153154

1242

1655

25

3167

55

29

32

1313

1756

56

50

52

26

126
Vol. or

Sec. Page

Vol. or

Sec. Page

Europiuin( II I ) vanadium oxide, EUVO4 4m 16 Gadolinium arsenate, GdAsO^ 4m 17 Gadolinium arsenide, GdAs 4m 57 Gadolinium chloride hydrate,

GdClg-eHgO 7m 118 Gadolinium chloride oxide, GdClO .. Im 17 Gadolinium fluoride, GdFs Im 14 Gadolinium gallium oxide,

Gd3fe50i2 2m 18 Gadolinium indium, Gdin 5m 67 Gadolinium nitride, GdN 4m 57 Gadolinium oxide, Gd203 Im 16 Gadolinium silver, GdAg 6m 87 Gadolinium titanium oxide, Gd2Ti05 8m 32 Gadolinium vanaditun oxide , GdV04 .. 5m 30 Gallium, Ga 2 9 Gallium arsenide, GaAs 3m 33 Gallium lutetium oxide, Ga5Lu30j2 2m 22 Gallium magnesium, Ga2Mg 12m 48 Gallium magnesium, Ga5Mg2 12m 51 Gallium neodymium oxide, Ga5Nd30j2 Im 34 Gallium oxide, a-Ga203 4 25 Gallium phosphate (a-quartz type),

GaP04 8 27 Gallium phosphate hydrate,

GaP04-2H20 8m 34 Gallium samarium oxide, Ga5Sm30j2 Im 42 Gallium ytterbium oxide, Ga5Yb30i2 Im 49 Gallium yttrium oxide, Ga5Y30i2 ••• In 50 Germanium, Ge 1 18 Germanium iodide, Gel2 4m 58 Germanium( IV) iodide, Gel4 5 25 Germanium oxide, Ge02 (hexagonal)

(low form) 1 51 Germanium oxide, Ge02

(tetragonal) (high form) 8 28 Gold, Au 1 33 Gold chloride, AuCl I6m 37 Gold(I) cyanide, AuCN 10 33 Gold holmium, AuHo 5m 68

Gold magnesium, AuMg 6m 83 Gold niobium, AuNb3 6m 16 Gold potassium cyanide, AuK(CN)2 •• 8m 36 Gold tin, AuSn 7 19 Gold titanium, AuTi3 6m 17 Gold vanadium, AUV3 6m 18 Hafnium, Hf 3 18 Hafnium nitride, HfN 19m 46 Hafnium oxide, Hf02 20m 54

Holmium arsenate, H0ASO4 3m 34 Holmium fluoride, H0F3 10m 23 Holmium nitride, HoN 4m 58 Holmium oxide, H02O3 9 32 Holmium selenide, HoSe 4m 59 Holmium silver, HoAg 5m 68 Holmium vanadium oxide, H0VO4 4m 18 Hydrazinium sulfate, (NH3)2S04 17m 38 Hydrogen amidosulfate , H2NSO3H 7 54

Hydrogen arsenate, H5As30io 7m 84

Hydrogen borate, P-HBO2 (monoclinic) 9m 71 Hydrogen borate (metaborite)

,

HBO2 (cubic) 4m 27 Hydrogen iodate, HIO3 5 28 Hydrogen iodate, Hl30g 8m 104 Hydrogen phosphate hydrate,

H3P04'0.5H20 12m 56 Hydrogen tellurate, HgTeOg 12m 34

Indium, In 3 12 Indium arsenide, InAs 3m 35 Indium oxide, In203 5 26 Indium phosphate, InP04 8 29 Indium sulfide, In2S3 11m 30 Iodine, I2 3 16 Iridium, Ir 4 9 Iridium niobium, IrNbs 6m 19 Iridium oxide, Ir02 19 Iridium titanium, IrTis 6m 20 Iridium vanadium, IrV3 6m 21 Iron, a-Fe 4 3 Iron aluminum oxide (hercynite),

FeAl204 19m 48 Iron antimony oxide, FeSb04 19m 49 Iron arsenide, FeAs Im 19 Iron arsenide (loellingite) , FeAs2 10 34 Iron boride, FeB 18m 35 Iron bromide, FeBr2 4m 59 Iron carbonate, siderite, FeC03 ... 15m 32 Iron chloride hydrate (rokuhnite),

FeCl2-2H20 11m 32 Iron chloride hydrate (hydromolysite)

,

FeCl3-6H20 17m 40 Iron chromium oxide (chromite)

,

FeCr204 19m 50 Iron fluoride hydrate, FeF2*4H20 11m 90 Iron fluoride, FeF3 18m 36 Iron fluoride hydrate, p-FeF3-3H20 17m 41 Iron hydroxide sulfate hydrate,

butlerite, Fe(0H)S04 •2H2O 10m 95 Iron iodide, Fel2 4m 60 Iron niobium oxide, Fe(Nb03)2 20m 56 Iron niobium oxide, Fe4Nrb209 20m 58 Iron oxide (hematite) , a-Fe203 .... 18m 37 Iron(II,III) oxide (magnetite),

Fe304 5m 31 Iron phosphate, FeP04 15m 33 Iron phosphate hydrate (vivianite),

Fe3(P04)2-8H20 16m 38 Iron silicate (fayalite), Fe2Si04 . 20m 59 Iron sulfate, Fe2(S04)3 I6m 39 Iron sulfate hydrate (melanterite)

,

FeS04-7H20 8m 38 Iron sulfide (pyrite) , FeS2 5 29 Iron thorium, Fei7Th2 12m 67 Iron titanium oxide (ilmenite),

FeTi03 15m 34 Iron titanium oxide (ulvospinel )

,

Fe2Ti04 20m 61 Iron yttrium ox.ide, Fe5Y30i2 I8m 38

Lanthanum arsenate, LaAs04 3m 36

Lanthanum arsenide, LaAs 4m 60

Lanthanum borate, LaB03 Im 20 Lanthanum boride, LaBg 20m 62 Lanthanum chloride, LaCls Im 20 Lanthanum chloride oxide, LaClO ... 7 22 Lanthanum fluoride, LaF3 7 21 Lanthanum magnesium, LaMg 5m 69 Lanthanum nickel platinum,

LaNio.25Pt4.75 ^''m 42 Lanthanum niobium titanium oxide,

LaNbTiOg 3m 37 Lanthanum nitrate hydrate,

La(N03)3-6H20 8m 40 Lanthanum nitride, LaN 4m 61 Lanthanum oxide, La203 3 33

127
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Lanthanum phosphide, LaP Lanthanum selenide, LaSe

Lanthanum titanium oxide, La2Ti207

Lanthanum zinc, LaZn

Lead, Pb

Lead borate, PbB407

Lead bromide, PbBr2

Lead bromide chloride, PbBrCl

Lead bromide fluoride, PbBrF

Lead bromide hydroxide, PbBr(OH) .. Lead bromide oxide, Pb302Br2

Lead carbonate (cerussite) , PbCOs

Lead chloride (cotunnite), PbCl2 •• Lead chloride fluoride (matlockite)

,

PbClF

Lead chromium oxide, Pb2Cr05

Lead fluoride, a-PbF2

(ortho rhombic ) Lead fluoride, p-PbF2 (cubic)

Lead fluoride iodide, PbFI

Lead hydrogen arsenate (schultenite)

,

PbHAs04

Lead hydrogen phosphate, PbHP04 ... Lead hydroxide phosphate,

Pb50H(P04)3

Lead iodate, Pb(I03)2

Lead(II) iodide, Pbl2

Lead molybdenum oxide (wulfenite),

PbMo04

Lead nitrate, Pb(N03)2

Lead oxide (litharge), PbO (red,

tetragonal)

Lead oxide (massicot), PbO (yellow,

orthorhombic ) Lead(II,III) oxide (minium), Pb304

Lead oxide sulfate, Pb505S04

Lead selenide (clausthalite) , PbSe

Lead strontium nitrate,

Pb,33Sr,67(N03)2

Lead strontium nitrate,

Pb.67Sr.33(N03)2

Lead sulfate (anglesite), PbS04 ... Lead sulfide (galena) , PbS

Lead tin oxide, Pb2Sn04

Lead titanium oxide (macedonite)

,

PbTiOa

Lead tungsten oxide (stolzite),

PbW04 (tetragonal)

Lead uranium oxide, PbaUOg

Lithium aluminum fluoride,

a-LisAlFg

Lithium arsenate, Li3As04

Lithium azide, LiNs

Lithium barium fluoride, LiBaFs ... Lithium beryllium fluoride, Li2BeF4

Lithium borate, Li2B407

Lithium bromide, LiBr

Lithium calcium aluminum boron

hydroxy silicate, 1 iddicoatite

,

Ca(Li,Al)3Al6B3Si6027(0,0H)3(0H,F)

Lithium carbonate, Li2C03

Lithium chlorate hydrate,

LiC104-3H20

Lithium chloride, LiCl

Lithium chromium oxide hydrate,

Li2Cr04-2H20

Lithium fluoride, LiF

Lithium gallium oxide, LiGa02

jm by 1 -7 1 /m 4d

Urn o 1 Lithium hydroxide hydrate, LiOH*H20 11m 92 15m 35 Lithium iodate, LiI03 (hexagonal) 7 26 5m 70 Lithium iodate, L1IO3 (tetragonal) 10m 33

I JH Lithium iodide hydrate, LiI'3H20 .. lorn 40

M-m 1 Qiy Lithium molybdenum oxide, Li2Mo04

I / m

/. ^ 't J Im 23

1 im Si om 22 10m 25 Lithium nitrate, L1NO3 7 27 I6m 40 Lithium oxide, Li20 Im 25 5m 32 Lithium phosphate, high form, Li3P04 3m 39

2 56 Lithium phosphate, low form

12m 23 (lithiophosphate) , Li3P04 4m 21 Lithium phosphate hydrate.

O tr Zj Ll3P309-3H20 2m 20

I4m 16 Lithium potassium sulfate, KLiS04 3m 43

Lithium rubidium fluoride, LiRbF2 7m 128

cO J 1 Lithium selenide, Li2Se 10m 100

5 33 Lithium silicate, Li2Si03 14m 19 10m 26 Lithium silver bromide.

Li.2Ag.8Br 12m 55

11 AmHm 1 o Lithium silver bromide, Li^Ag gBr izm 55 15m 37 Lithium silver bromide.

Li.6Ag.4Br 12m 55

QO 33 Lithium silver bromide,

1 7m h5 Li.8Ag.2Br 12m 55

5 34 Lithium sodium aluminum fluoride.

cryolithionite , Li3Na3Al2Fi2 9m 23

7 z3 Lithium sodium sulfate, LiNaS04 ... 6m 24

5 3d 6m 26 Lithium sulfate hydrate.

oz 30 , Li2S04'H20 4m 22 10m 101

2 32 Lithium tantalum oxide, LiTaOs .... 14m 20

8 32 Lithium telluride, Li2re 10m 102

1 Hm ium 0 1 z / Lithium thorium molybdenum oxide,

cJ io Ll4ih7 (,rlo04 J 16

0 rim zum D J Lithium thorium tungsten oxide.

12m 53 Ll4Th7(W04) 16 20m d4

Lithium tin oxide, Li2Sn03 I6m 45 12m 53 Lithium titanium oxide, Li2Ti307 .. 20m 66

3 67 Lithium tungsten oxide, Li2W04

1 o

1

8

ft-- 1 \ Im 25 10m 29 Lithium tungsten oxide hydrate.

Li2W04-0.5H20 2m 20

5 39 Lithium uranium fluoride, LiUFs ... 7m 131 Lithium zirconium oxide, Li2Zr03 ..

1 Om lym J i 5m 34 Lutetium arsenate, LUASO4 5m 3d om iuy Lutetium manganese oxide, LuMn03 .. Omzm Z J Lutetium nitride, LuN 4m 62 8m 111 Lutetium oxide, LU2O3 Im 0 1 z / 2m 19 Lutetium vanadium oxide, LUVO4 .... 5m 3 / 8m 113 Magnesium, Mg 1 10 5m 35 Magnesium aluminum oxide (spinel),

7m iZD MgAl204 Omym ZD 8m 114 Magnesium aluminum silicate (low

/.H JU cordierite ; , ng2Ai4bi5Ui8

(orthorhombic) Im 0 0 zo Magnesium aluminum silicate

iom HZ (mdialite) Mg2Al4Si50i8

8m 42 Im z9 Magnesium aluminum silicate

8 34 (pyrope), Mg3Al2 (Si04 ) 3 4m 24

1 62 Magnesium arsenate hydrate

(hoernesite) , Mg3(As04)2 •8H2O 19m 53

16m 44 17m 47

1 61 Magnesium borate, Mg2B205

10m 31 4m 25

128
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Magnesium bromide, MgBr2 4m 62 Magnesium bromide hydrate,

MgBr2-6H20 Um 35 Magnesium carbonate (magnesite)

,

MgCOg 7 28 Magnesium cerium nitrate hydrate,

Mg3Ce2(N03)i2-24H20 10 20 Magnesium chlorate hydrate,

Mg(C104)2-6H20 7m 30 Magnesium chloride, MgCl2 11m 94

Magnesium chloride hydrate,

MgCl2-12H20 7m 135 Magnesium chloride hydrate

(bischof ite) , MgCl2-6H20 11m 37 Magnesium chromium oxide

(magnesiochromite) , MgCr204 9 34

Magnesium chromium oxide hydrate,

MgCr04-5H20 15m 39 Magnesium fluoride (sellaite), MgF2 4 33 Magnesium fluoride silicate

(humite), Mg7F2Si30i2 Im 30 Magnesium fluoride silicate

(norbergite) , Mg3F2Si04 10 39 Magnesium gallium oxide, MgGa204 . . 10 36 Magnesium germanium oxide,

Mg2Ge04 (cubic) 10 37 Magnesium germanium oxide,

Mg2Ge04 (orthorhombic) 10 38 Magnesium hydrogen phosphate

hydrate, newberyite, MgHP04-3H20 7m 139

Magnesium hydroxide (brucite),

Mg(0H)2 6 30 Magnesium iodate hydrate,

Mg(I03)2-4H20 17m 48

Magnesium iron hydroxide carbonate

hydrate, pyroaurite,

Mg6Fe2(0H)i6C03-4H20 (rhomb.) 10m 104

Magnesium iron hydroxide carbonate

hydrate, sjogrenite,

Mg6Fe2(0H)i6C03-4H20, (hexag.) ... 10m 103

Magnesium lanthanum nitrate

hydrate, Mg3La2 (NO3) ^2 ' 24H2O Im 22 Magnesium manganese oxide, MgMn204 10m 35 Magnesium manganese zinc iron sulfate

hydroxide hydrate, zincobotryogen,

(Zn,Mg,Mn)Fe(S04)2(0H) •7H2O 20m 67 Magnesium mercury, MgHg 6m 84

Magnesium molybdenum oxide, MgMo04 7m 28 Magnesium nickel oxide, MgNi02 .... 10m 36 Magnesium oxide (periclase) , MgO . . 1 37 Magnesium phosphate, Mg(P03)2 13m 26

Magnesium phosphate, a-Mg2P207 .... 18m 41 Magnesium phosphate (f arringtonite)

,

Mg3(P04)2 19m 55 Magnesium selenide, MgSe 5m 70 Magnesium selenite hydrate,

MgSe03-6H20 8m 116 Magnesium silicate (clinoenstatite)

,

MgSi03 20m 69 Magnesium silicate, enstatite,

MgSi03 6 32 Magnesium silicate (forsterite)

,

Mg2Si04 20m 71 Magnesium sulfate hydrate

(kieserite), MgS04-H20 I6m 46

Magnesium sulfate hydrate

(epsomite), MgS04-7H20 7 30

Vol. or Sec. Page

Magnesium sulfide, MgS 7 31 Magnesium sulfite hydrate,

MgS03-6H20 9m 26 Magnesium tin, Mg2Sn 5 41 Magnesium tin oxide, Mg2Sn04 lOrn 37 Magnesium titanium oxide

(geikielite) , MgTi03 5 43 Magnesium titanium oxide, Mg2Ti04 12m 25 Magnesium tungsten oxide, MgW04 ... 13m 27 Manganese, a-Mn (calculated pattern) 7m 142 Manganese, a-Mn 17m 50 Manganese, p-Mn 18m 43 Manganese aluminum oxide (galaxite),

MnAl204 9 35 Manganese bromide, MnBr2 4m 63

Manganese(II) carbonate

(rhodochrosite) , MnCOg 7 32 Manganese chloride (scacchite),

MnClg 8m 43 Manganese chloride hydrate,

MnCl2-2H20 11m 38 Manganese chloride hydrate,

MnCl2-4H20 9m 28 Manganese cobalt oxide, MnCo204 ... 9m 30 Manganese fluoride, MnF2 10m 105 Manganese iodide, Mnl2 4m 63 Manganese iron oxide (jacobsite),

MnFe204 9 36 Manganese(II) oxide (manganosite)

,

MnO 5 45 Manganese oxide (pyrolusite) , p-Mn02 10m 39 Manganese oxide (bixbyite), a-Mn203 11m 95 Manganese oxide (hausmannite)

,

Mn304 10m 38 Manganese oxide hydroxide, groutite,

of-MnOOH 11m 97 Manganese phosphate, Mn(P03)2 14m 21 Manganese phosphate, Mn2P207 15m 41 Manganese phosphate, Mn3(P04)2 .... I6m 47 Manganese selenide, MnSe 10 41 Manganese sulfate hydrate

(szmikite), MnS04-H20 I6m 49 Manganese sulfide (alabandite)

,

a-MnS 4 11 Manganese titanium oxide

(pyrophanite) , MnTi03 15m 42 Manganese(II) tungsten oxide

(huebnerite) , MnW04 2m 24 Manganese vanadium oxide, Mn2V207 9m 75 Mercury amide chloride, HgNH2Cl ... 10m 40 Mercury ammine chloride,

Hg(NH3)2Cl2 11m 39 Mercury bromate, Hg(Br03)2 10m 107 Mercury bromide, HgBr2 10m 110

Mercury bromide, Hg2Br2 7 33 Mercury chloride, HgCl2 13ra 29 Mercury chloride (calomel),

Jlg2Cl2 13m 30 Mercury chloride sulfide,

a-Hg3Cl2S2 8m 118 Mercury(II) cyanide, Hg(CN)2 6 35 Mercury(II) fluoride, HgF2 2m 25 Mercury hydroxide nitrate,

Hg(0H)N03 17m 52

Mercury(I) iodide, Hgl 4 49 Mercury(II) iodide, Hgl2 (tetragonal) 7m 32 Mercury(II) oxide (montroydite)

,

HgO 9 39

129
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Mercury(II) selenide (tiemannite)

,

HgSe 7 35 Mercury sulfate, HgS04 I6m 50 Mercury sulfate, Hg2S04 I6m 52

Mercury(II) sulfide (cinnabar),

HgS (hexagonal) 4 17 Mercury(ll) sulfide (metacinnabar)

,

HgS (cubic) 4 21 Molybdenum, Mo 1 20 Molybdenum arsenide, M02AS3 10m 115 Molybdenum osmium, M03OS 6m 28 Molybdenum oxide, M0O2 18m 44

Molybdenum oxide (molybdite) , M0O3 . 20m 118 Molybdenum oxide (molybdite), M0O3 3 30 Molybdenum silicide, Mo5Si3 19m 59 Molybdenum sulfide (molybdenite),

M0S2 5 47 Neodymium arsenate, NdAs04 4m 28 Neodymium arsenide, NdAs 4m 64

Neodymium borate, NdB03 Im 32 Neodymium chloride, NdCl3 Im 33 Neodymium chloride oxide, NdOCl ... 8 37 Neodymium fluoride, NdFs 8 36 Neodymium oxide, Nd203 4 26 Neodymium phosphate, NdP04 lira 40 Neodymium selenide, NdSe 5m 71 Neodymium silver, NdAg 5m 71 Neodymium tantalum oxide, NdTa04 .. 18m 46

Neodymium titanium oxide, Nd2Ti05 18m 48

Neodymium titanium oxide, Nd2Ti207 18m 50

Neodymium titanium oxide, Nd4Ti9024 18m 52

Neodymium vanadium oxide, NdV04 ... 4m 30 Neptunium nitride, NpN 4m 64

Nickel, Ni 1 13 Nickel aluminum oxide, NiAl204 .... 9 42 Nickel arsenate hydrate (annabergite)

,

Ni3(As04)2-8H20 19m 60

Nickel arsenide (rammelsbergite)

,

NiAs2 10 42 Nickel arsenic sulfide

(gersdorff ite) , NiAsS Im 35 Nickel bromide, NiBrg 10m 119 Nickel(II) carbonate, NiCOg

(trigonal) Im 36 Nickel chloride, NiCl2 9m 81 Nickel chloride hydrate,

NiCl2-6H20 11m 42 Nickel fluoride, NiF2 10m 121 Nickel fluoride hydrate, NiF2-4H20 11m 43

Nickel gallium oxide, NiGa204 10 45 Nickel germanium oxide, Ni2Ge04 ... 9 43

Nickel iron oxide (trevorite)

,

NiFe204 10 44 Nickel molybdenum oxide, NiMo04 ... 19m 62 Nickel nitrate hydrate,

Ni(N03)2-6H20 12m 26 Nickel(II) oxide (bunsenite), NiO 1 47 Nickel phosphate, Ni(P03)2 I4m 22 Nickel phosphate hydrate,

Ni3(P04)2-8H20 19m 64

Nickel phosphide, Nii2P5 9m 83

Nickel silicon fluoride hydrate,

NiSiF6-6H20 8 38

Nickel sulfate, NiS04 2m 26 Nickel sulfate hydrate (retgersite)

,

NiS04-6H20 (tetragonal) 7 36 Nickel sulfate hydrate (nickelhexahydr ite ) , p-NiS04 • 6H2O

(monoclinic) 19m 65

Nickel sulfide, millerite, NiS .... Im 37 Nickel titanium oxide, NiTiOs 18m 54

Nickel tungsten oxide, NiW04 2m 27 Nickel yttrium, NigY 10m 123 Niobium, Nb (monoclinic) 19m 67 Niobium boride, ^-NbB 17m 54

Niobium chloride oxide, NbCl30 .... 7m 148 Niobium osmium, Nb30s 6m 30 Niobium platinum, NbsPt 6m 31 Niobium silicide, NbSi2 8 39 Niobium silicide, a-Nb5Si3 15m 43 Niobium silicide, p-NbsSis 15m 44 Osmium, Os 4 8 Osmium titanium, OsTi 6m 85 Palladium, Pd 1 21 Palladium hydride, PdHo_706 5m 72 Palladium oxide, PdO 4 27 Palladium selenium (palladseite)

,

PdjySeis 16m 139 Palladium vanadium, PdV3 6m 32 Phosphorus bromide, PBr7 7m 150 Phosphorus oxide (stable form I),

P2O5 (orthorhombic) 9m 86 Phosphorus oxide (stable form II),

P2O5 (orthorhombic) 9m 88 Phosphorus oxide (metastable form)

,

P4O10 (rhombohedral) 9m 91 Platinum, Pt 1 31 Platinum titanium, PtTis 6m 33 Platinum vanadium, PtV3 6m 34 Plutonium arsenide, PuAs 4m 65 Plutonium phosphide, PuP 4m 65 Plutonium telluride, PuTe 4m 66

Potassium aluminum sulfate,

KA1(S04)2 9m 31 Potassium aluminum sulfate hydrate

(potash alum), KA1(S04)2 •I2H2O ... 6 36 Potassium arsenic fluoride, KAsFe 17m 57 Potassium barium chromium oxide,

K2Ba(Cr04)2 I4m 23

Potassium barium iron titanium

oxide, Ki^i6Bao.72Feo.36Ti5.580i3 I6m 147 Potassium barium molybdenum oxide,

K2Ba(Mo04)2 14m 24 Potassium barium nickel nitrite,

K2BaNi(N02)6 9m 32 Potassium barium niobium oxide,

KBa2(Nb03)5 20m 73 Potassium barium phosphate,

KBaP04 19m 68 Potassium borate hydroxide hydrate,

K2B405(0H)4-2H20 15m 46 Potassium calcium phosphate,

KCaP04 19m 70 Potassium boron hydride, KBH4 9 44

Potassium bromate, KBr03 7 38 Potassium bromide, KBr 1 66

Potassium bromide chloride,

KBro.sClo.s 8m ^6

Potassium bromide iodide, KBr 33l_67 11TM

Potassium bromide iodide, KBr g?!. 33 HTM ^5 Potassium cadmium chloride, KCdCls 5m 38 Potassium cadmium fluoride, KCdF3 8m 47 Potassium cadmium sulfate,

K2Cd2(S04)3 7m 34

Potassium calcium carbonate

(fairchildite) , K2Ca(C03)2 8m 48
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Potassium calcium chloride, KCaCl3 7m 36 Potassium calcium fluoride, KCaF3 8m 49 Potassium calcium magnesium sulfate,

K2CaMg(S04)3 7m 37 Potassium calcium nickel nitrite,

K2CaNi(N02)6 9m 33 Potassium calcium sulfate,

K2Ca2(S04)3 7m 39 Potassium calcium sulfate hydrate

(syngenite), K2Ca (SO4 ) 2 •H2O I4m 25 Potassium cerium fluoride, fB-KCeF4 12m 59 Potassium chlorate, KCIO3 3m 42 Potassium chlorate, KCIO4 6 43 Potassium chloride (sylvite), KCl 1 65 Potassium chromium oxide, K3Cr08 .. 3m 44 Potassium chromium oxide (lopezite),

K2Cr207 15m 47 Potassium chromium oxide sulfate,

K2(Cr04), 33(804). 67 12m 28 Potassium chromium oxide sulfate,

K2(Cr04). 67(504). 33 12m 27 Potassium chromium sulfate,

KCr(S04)2 16m 58 Potassium chromium sulfate hydrate,

KCr(S04)2-12H20 6 39 Potassium cobalt(II) fluoride,

KC0F3 6m 37 Potassium cobalt fluoride, K2C0F4 11m 46 Potassium cobalt nitrite,

K3Co(N02)6 9 45 Potassium cobalt(II) sulfate,

K2Co2(S04)3 6m 35 Potassium copper chloride, KCUCI3 7m 41 Potassium copper chloride hydrate

(mitscherlichite) , K2CuCl4-2H20 .. 9m 34 Potassium copper(ll) fluoride,

KCuFa 6m 38 Potassium cyanate, KCNO 7 39 Potassium cyanide, KCN 1 77 Potassium fluoride, KF 1 64 Potassium fluoride hydrate, KF*2H20 18m 55 Potassium germanium fluoride,

KaGeFg 6 41 Potassium hydrogen arsenate,

KH2ASO4 Im 38 Potassium hydrogen iodate,

KH(I03)2 17m 58

Potassium hydrogen phosphate,

KH2PO4 3 69 Potassium hydroxide, KOH at 300 C 4m 66 Potassium iodate, KIO3 15m 48 Potassium iodate, KIO4 7 41 Potassium iodide, KI 1 68 Potassium iron chloride hydrate

(erythrosiderite) , K2FeCl5-H20 ... I4m 27 Potassium iron cyanide, K3Fe(CN)6 9m 35 Potassium iron cyanide, K4Fe(CN)6 18m 56 Potassium iron(ll) fluoride, KFeF3 6m 39 Potassium iron fluoride, KsFeFe ... 9m 37 Potassium iron sulfate (yavapaiite)

,

KFe(S04)2 16m 59 Potassium lead chloride, KPb2Cl5 .. 13m 33 Potassium lead chromium oxide,

K2Pb(Cr04)2 l^m 28 Potassium lead molybdenum oxide,

K2Pb(Mo04)2 l^m 29 Potassium lead phosphate,

K2Pb(P03)4 15m 50

Potassium lead selenate,

K2Pb(Se04)2 i'^m 52 Potassium lead sulfate (pa 1 mier i te)

,

KgPb (304)2 1^"' 30 Potassium magnesium chloride

hydrate (carnallite) , KMgCl3-6H20 8m 50 Potassium magnesium chromium oxide,

K2Mg2(Cr04)3 8m 52 Potassium magnesium fluoride, KMgFo 6m 42 Potassium magnesium fluoride, K2MgF4 10m 42 Potassium magnesium selenate

hydrate, K2Mg (Se04 ) 2 • 6H2O 10m 43 Potassium magnesium sulfate

(langbeinite) , K2Mg2(S04)3 6m 40 Potassium magnesium sulfate hydrate

(picromerite) , K2Mg(S04 )2 •6H2O 8m 54 Potassium manganese ( 1 I ) fluoride,

KMnF3 6m 45 Potassium manganese oxide, KMn04 7 42 Potassium manganese(II) sulfate

(manganolangbeinite) , K2Mn2(S04)3 6m 43 Potassium molybdenum oxide, K2M0O4 15m 53 Potassium molybdenum oxide phosphate hydrate, K3(Mo03) 12PO4 •4H2O 8 43 Potassium nickel fluoride, KNiFs 7m 42 Potassium nickel fluoride, K2NiF4 10m 45 Potassium nickel(II) sulfate,

K2Ni2(S04)3 6m 46 Potassium niobium fluoride, K2NbF7 8m 120 Potassium niobium oxide, KNb03 .... 17m 62 Potassium nitrate (niter) , KNO3 ... 3 58 Potassium nitrite, KNO2 9m 38 Potassium nitrosyl ruthenium

chloride, KgNORuCls I6m 61 Potassium oxide, K2O 10m 125 Potassium platinum bromide, K2PtBr6 8 40 Potassium platinum chloride,

KgPtClg 13m 34 Potassium platinum fluoride, K2PtF6 6 42 Potassium rhenium chloride, K2ReCl6 2m 28 Potassium rhenium oxide, KRe04 .... 8 41 Potassium rubidium chloride,

Ko.5Rbo.5Cl 8m 76 Potassium rubidium chromium oxide,

KRbCr04 12m 29 Potassium ruthenium chloride,

K2RUCI6 10 46 Potassium ruthenium oxide chloride

hydrate, K4RU2OCI jo •H2O 10 47 Potassium selenate, K2Se04 9m 41 Potassium selenide, K2Se 10m 126 Potassium selenium bromide, K2SeBr6 8 41 Potassium silicon fluoride

(hieratite), K2SiF6 5 50 Potassium silver cyanide, KAg(CN)2 8m 78 Potassium sodium aluminum fluoride

(elpasolite) , KgNaAlFg 9m 43 Potassium sodium bromide,

K.2Na.8Br 12ra 62 Potassium sodium bromide,

K.4Na.6Br 12ra 62 Potassium sodium bromide,

K.6Na.4Br 12m 62 Potassium sodium bromide,

K.8Na.2Br 12m 62 Potassium sodium chloride,

K.2Na.8Cl 12m 63

131
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Potassium sodium chloride,

K,4Na,6Cl

Potassium sodium chloride,

K,6Na.4Cl

Potassium sodium chloride,

KgNa^zCl

Potassium sodium sulfate,

K.67Nai .33SO4

Potassium sodium sulfate, KNaS04 .. Potassium sodium sulfate

(aphthitalite) , K3Na(S04)2

Potassium strontium chromium oxide,

K2Sr(Cr04)2

Potassium strontium niobium oxide,

KSr2(Nb03)5

Potassium strontium phosphate,

KSrP04

Potassium strontium selenate,

K2Sr(Se04)2

Potassium strontium sulfate

(kalistrontite) , K2Sr(S04)2

Potassium sulfate, K2S2O7

Potassium sulfate, K2S20g

Potassium sulfate (arcanite), K2SO4

Potassium sulfide, K2S

Potassium telluride, K2Te

Potassium thiocyanate, KCNS

Potassium tin chloride, K2SnClg ... Potassium titanium fluoride, K2TiF6

Potassium titanium phosphate,

KTl2(P04)3

Potassium tungsten oxide, K2WO4 ... Potassium vanadium oxide, KVO3 .... Potassium vanadium oxide, KVsOg ... Potassium zinc bromide hydrate,

KZnBrg-ZHgO

Potassium zinc fluoride, KZnF^ .... Potassium zinc fluoride, K2ZnF4 ... Potassium zinc iodide hydrate,

KZnl3-2H20

Potassium zinc phosphate, KZnP04 .. Potassium zinc sulfate, K2Zn2(S04)3

Potassium zinc sulfate hydrate,

K2Zn(S04)2-6H20

Potassium zinc vanadium oxide

hydrate, K2Zn2Vio028 " I6H2O

Potassium zirconium fluoride,

K3ZrF7

Praseodymium arsenate, PrAs04

Praseodymium arsenide, PrAs Praseodymium chloride, PrCls

Praseodymium chloride oxide, PrOCl

Praseodymium fluoride, PrF3

Praseodymium sulfide, PrS Praseodymium vanadium oxide, PrV04

Praseodymium zinc, PrZn

Rhenium, Re Rhodium, Rh

Rhodium vanadium, RhV3

Rubidium aluminum sulfate

hydrate, RbAl (SO4) 2 • I2H2O

Rubidium amide, RbNH2

Rubidium barium chromium oxide,

Rb2Ba(Cr04)2

Rubidium barium molybdenum oxide,

Rb2Ba(Mo04)2

Rubidium bromate, RbBrOs

Rubidium bromide, RbBr

Rubidium cadmium chloride, high

Do Rubidium cadmium chloride.

jm A

1

'to

i /Cut 00 low form, RbCdCl3 (orthorhombic)

Rubidium cadmium sulfate.

jm AT

1 9m KD2La2loU4j3 /m AHO Rubidium calcium chloride, RbCaCl3 /m A 7 6m A R Rubidium calcium fluoride, RbCaF3 om 0 / 6m 50 Rubidium calcium sulfate,

7m / Q HO 6m 52 Rubidium chlorate, RbClOg 8 47 Omzm 9 0

11 jiu 7 J / 4 1 Rubidium chromium oxide, Rb2Cr04 .

.

Jm /. A 40

9 dm 7 /. Rubidium chromium oxide, Rb2Cr207

Rub i d i um ch romi um sulfate hyd rate,

15m OU

1 y III 7 1 RKPr-^cin . 1 9H n Rubidium cobalt(II) chloride,

D LI

1 J HI DO 6m 7 Rubidium cobalt fluoride, RbCoF3 .

.

om JO

1 Am D 1 Rubidium cobalt sulfate,

9m QQ omftm Jy

i /m D*4 Rubidium copper chloride hydrate

,

0J A9DZ 10m /. 7

1

J. Hmum 19 7 IZ / Rubidium copper sul f a te hydrate

,

i um 1 9 ft 1 Zc3 DK CxxfCirx '\ • AU A om ^ 1 Q0

A A Qmom ^ 9 D J 6 38 Rubidium hydrogen phosphate,

7 An 0 Am zum

"7 n

11 Dm^m A9DZ zum 9 Am 7 A 2m 3 1 11m 47 4 43

1 ftm om 7 Rubidium iron chloride hydrate.

Olll J 0 Rubidium iron sulfate hydrate,

1 Am "^"^

11m 104 Rb2Fe(S04)2-6H20 8m 64

D J I Rubidium lead chromium oxide.

lOm 46 Rb2Pb(Cr04)2

Rubidium lead molybdenum oxide,

14m 34

11m 107 Rb2Pb(Mo04)2 15m 63

77 Rubidium magnesium chromium oxide.

6m RhKD2ng2 Mo (i.Lru4 r rC\ \

J 3 Rubidium magnesium chromium oxide

Rmom

/m 40 Rubidium magnesium sulfate.

Qmom DO

Jul 4j Kb2ng2 (,aU4 J3 Rubidium magnesium sulfate

7m/m OU

y

A A 'to hydrate, Rb2ng(,oU4J2 ""2'-' Qm<5m 7 r\ 4m 0/ Rubidium manganese(II) fluoride,

4m fi7 om HH

Im Rubidium manganese sulfate.

Qy A7 7m/m oz

c:D 0 Z Rubidium nickel(II) chloride.

4m A7 DKXT -; PI ^mom Q 00 Dm An Rubidium nickel sulfate.

om 7 0 Du XT-; f cr\ ^ omQm 7 0

/ z

0 I

J

Rubidium nickel sulfate hydrate.

J 9 Rb2NiCS04;2 6H2O om /h 6m OD Rubidium nitrate, RbN03 (trigonal) I^m om A c; HO

z(Jm Q n OU

D

A A Rubidium platinum chloride,

5m 7 0/ 0 5

c 0 DO

IVUUXUXLUII Wiir^i II m T^l ai" t nil m rlii/^i~T^o Rri-.Pi'H — p ± <3 L J. LlLllll Xi.UwI.iUt:, I\U2*^Lrg 5 48 l4m 32 Rubidium selenate, Rb2Se04 9m 44 Rubidium silicon fluoride, Rb2SiFe 6 49 15m 59 Rubidium strontium chloride.

8 45 RbSrCla 7m 54

7 43 Rubidium strontium chromium oxide,

Rb2Sr(Cr04)2 15m 64

132
Vol . or

Sec. Page

Vol. or

Sec. Page

Rubidium strontium niobium oxide,

RbSr2(Nb03)5 20m 81 Rubidium strontium sulfate,

Rb2Sr(S04)2 15m 65 Rubidium sulfate, Rb2S04 8 48 Rubidium tellurium bromide,

Rb2TeBr6 8 46 Rubidium tellurium chloride,

RbgTeCle 8 48 Rubidium tin chloride, Rb2SnCle ••• 6 46 Rubidium zinc fluoride, RbZaFs .... 7m 57 Rubidium zinc sulfate hydrate,

Rb2Zn(S04)2-6H20 7m 55 Ruthenium, Ru 4 5 Ruthenium titanium, RuTi 6m 86 Samarium arsenate, SmAs04 4m 33 Samarium arsenide, SmAs 4m 68 Samarium chloride, SmCls Im 40

Samarium chloride oxide, SmOCl .... Im 43 Samarium fluoride, SmF3 Im 41 Samarium oxide, Sm203 (cubic) 4m 34 Samarium silver, SmAg 5m 73 Samarium tin oxide, Sm2Sn207 8m 77 Samarium vanadium oxide, SmV04 .... 5m 47 Scandium arsenate, SCASO4 4m 35 Scandium arsenide, ScAs 4m 68

Scandium boride, ScB2 17m 66 Scandium oxide, SC2O3 3 27 Scandium phosphate, SCPO4 8 50

Scandium silicate (thortveitite) , Sc2Si207 7m 58 Selenium, Se 5 54

Selenium oxide (selenolite) , Se02 7m 60 Silicon, Si 13m 35 Silicon, Si (reference standard) .. 12m 2 Silicon nitride, ^-Si3N4 18m 59 Silicon nitride, p-Si3N4

(calculated pattern) I4m 116

Silicon oxide (a or low

cristobalite) , Si02 (tetragonal) 10 48 Silicon oxide (a or low

cristobalite), Si02 (tetragonal)

(calculated pattern) 15m 180

Silicon oxide (quartz, low), a-Si02 18m 61 Silicon oxide (p or high

cristobalite), Si02 (cubic) 1 42 Silver, Ag 1 23 Silver, Ag (reference standard) ... 8m 2 Silver arsenate, Ag3As04 5 56

Silver arsenic sulfide,

xanthoconite , Ag3AsS3 8m 126 Silver bromate, AgBr03 5 57 Silver bromide (bromargyrite) , AgBr 4 46

Silver carbonate, Ag2C03 13m 36 Silver chlorate, AgClOg 7 44

Silver chloride (chlorargyrite)

,

AgCl 4 44 Silver chromium oxide, Ag2Cr04 .... 12m 30 Silver cyanide, AgCN 9m 48 Silver fluoride, Ag2F 5m 53 Silver iodate, AgI04 9 49 Silver iodide (iodargyrite) , Agl

(hexagonal) 8 51 Silver iodide, y-Agl (cubic) 9 48

Silver manganese oxide, AgMn04 .... 7m 155 Silver mercury iodide, p-Ag2Hgl4 .. 17m 67 Silver molybdenum oxide, Ag2Mo04 .. 7 45 Silver nitrate, AgNOs 5 59

Silver nitrite, AgN02 5 60 Silver oxide, Ag20 Im 45 Silver(II) oxide nitrate, AgyOgNOs 4 61 Silver phosphate, Ag3P04 5 62 Silver rhenium oxide, AgRe04 8 53 Silver selenate, Ag2Se04 2m 32 Silver sodium chloride,

Ago.5Nao.5Cl 8m 79 Silver sulfate, Ag2S04 13m 37 Silver sulfide (acanthite), Ag2S .. 10 51 Silver telluride (hessite),

Ag2Te 19m 73 Silver terbium, AgTb 5m 74 Silver thiocyanate, AgCNS I6m 62 Silver thulium, AgTm 5m 74 Silver yttrium, AgY 5m 75 Sodium, Na 9m 105 Sodium aluminum chloride silicate,

sodalite, Na8Al6Cl2 (8104)5 ^m 158 Sodium aluminum fluoride (chiolite),

Na5Al3Fi4 16m 63 Sodium aluminum oxide, p-NaA102 -.• 18m 62 Sodium aluminum sulfate hydrate

(soda alum), NaAl (SO4 ) 2 • I2H2O 15m 68 Sodium antimony fluoride, NaSbF4 20m 82 Sodium azide, a-NaN3, at -90 to -100 °C 8m 129 Sodium azide, p-NaN3 8m 130 Sodium barium niobium oxide,

NaBa2(Nb03)5 20m 83 Sodium barium phosphate, NaBaP04 .. 19m 75 Sodium beryllium calcium aluminum

fluoride oxide silicate, meliphanite,

(Nao.esCai .37)Be(Alo. laSii .8?)

(F0.75O6.25) 8m 135 Sodium beryllium calcium fluoride

silicate, leucophanite

,

NaBeCaFSi206 8m 138 Sodium borate, NaB02 18m 63 Sodium borate, Na2B407 I6m 64

Sodium borate, Na2BgO]^3 7m 160 Sodium borate hydroxide hydrate

(borax), Na2B405 (OH) 4 • 8H2O I6m 66 Sodium boron hydride, NaBH4 9 51 Sodium bromate, NaBr03 5 65 Sodium bromide, NaBr 3 47 Sodium bromide chloride,

NaBr_33Cl,67 ^9 Sodium bromide chloride,

NaBr_67C1.33 Hm 50 Sodium calcium aluminum fluoride

hydrate, thomsenolite

,

NaCaAlF6-H20 8m 132 Sodium calcium carbonate hydrate,

pirssonite, Na2Ca(C03)2 •2H2O 9m 106

Sodium calcium phosphate, p-NaCaP04 15m 69 Sodium calcium silicate, Na2CaSi04 10m 48 Sodium calcium sulfate (glauberite)

,

Na2Ca(S04)2 6m 59 Sodium carbonate hydrate (thermonatrite), Na2C03-H20 8 54 Sodium carbonate sulfate, Na4C03S04 11m 51 Sodium carbonate sulfate (burkeite)

,

Na6C03(S04)2 11m 52 Sodium carbonate sulfate,

Na6C03(S04)2 lira 53

Sodium carbonate sulfate,

Na6(C03)2S04 11m 54

133
Sodium chlorate, NaClOs

Sodium chlorate, NaC104

(orthorhombic ) Sodium chlorate hydrate,

NaC104-H20

Sodium chloride (halite) , NaCl .... Sodium chromium oxide, Na2Cr04 .... Sodium chromium oxide hydrate,

Na2Cr04-4H20

Sodium chromium oxide hydrate,

Na2Cr207 •2H2O

Sodium chromium oxide sulfate,

Na4(Cr04)(S04)

Sodium cobalt nitrite, Na3Co(N02)6

Sodium cobalt(II) sulfate hydrate,

Na2Co(S04)2 -AHgO

Sodium cyanate, NaCNO

Sodium cyanide, NaCN (cubic)

Sodium cyanide, NaCN (orthorhombic)

at 6 °C Sodium fluoride (villiaumite) , NaF Sodium germanium phosphate,

NaGe2(P04)3

Sodium hydrogen carbonate hydrate,

trona, Na3H(C03)2 •2H2O

Sodium hydrogen fluoride, NaHF2 ••• Sodium hydrogen phosphate,

Na3H(P03)4

Sodium hydrogen silicate hydrate,

Na2H2Si04-4H20

Sodium hydrogen sulfate hydrate,

NaHS04-H20

Sodium hydroxide, NaOH at 300 °C .. Sodium iodate, NalOs

Sodium iodate, NaI04

Sodium iodate hydrate, NaI03'H20 .. Sodium iodide, Nal

Sodium iron fluoride, NasFeFg

Sodium iron silicate (acmite),

NaFe(Si03)2

Sodium lanthanum fluoride silicate,

(Na2La8)F2(Si04)6

Sodium lanthanum molybdenum oxide,

NaLa(Mo04)2

Sodium magnesium aluminum boron

hydroxide silicate, dravite,

NaMg3Al6B3(0H)4Si6027

Sodium magnesium carbonate

(eitelite), Na2Mg(C03)2

Sodium magnesium sulfate

(vanthoffite) , Na6Mg(S04)4

Sodium magnesium sulfate hydrate,

bloedite, Na2Mg(S04)2 •4H2O

Sodium magnesium sulfate hydrate

(loeweite), Na 12M87 (SO4) 13 • I5H2O

Sodium manganese(II) fluoride,

NaMnF3

Sodium manganese sulfate hydrate,

Nai2Mn7(S04)i3-15H20

Sodium mercury(II) chloride hydrate,

NaHgCl3-2H20

Sodium molybdenum oxide, Na2Mo04 .. Sodium molybdenum oxide, Na2Mo207

Sodium molybdenum oxide hydrate,

Na2Mo04-2H20

Sodium neodymium fluoride silicate,

(Na2Nd8)F2(Si04)6

Vol . or

Sec. Page

3 51

7 49

17m 68

2 41 9m 48

9m 50

7m 62

11m 55 15m 70

6m 61 2m 33

1 78

1 79

1 63

20m 0 /

15m 7 1 5 63

10m 130

7m 163

9m 52 4m 69

7 47

7 48 17m 73

4 31 9m 54

20m 86

7m 64

10m 49

3m 47

11m 56

15m 72

6m 63

14m 35

6m 65

14m 37

6m 66

Im 46

9m 110

20m 87

7m 66

Vol. or

Sec. Page

Sodium nickel(II) sulfate hydrate,

Na2Ni(S04)2-4H20

Sodium niobium oxide (lueshite),

NaNbOg

Sodium nitrate (soda niter), NaNOs

Sodium nitrite, NaN02

Sodium nitrosyl iron cyanide

hydrate, Na2 (NO)Fe (CN) 5 • 2H2O

Sodium oxide, Na20

Sodium phosphate, Na3P309

Sodium phosphate hydrate,

Na3P309-H20

Sodium phosphate hydrate,

0(-Na4P40i2 '41120 (monoclinic)

Sodium phosphate hydrate,

p-Na4P40i2 •4H2O (triclinic)

Sodium phosphate hydrate,

NaePgOis-^HzO

Sodium praseodymium fluoride

silicate, (Na2Pr8)F2 (Si04)6 ....... Sodium selenate, Na2Se04

Sodium selenide, Na2Se

Sodium silicate, a(III), Na2Si205 . Sodium silicate, p-Na2Si205

Sodium silicon fluoride

(malladrite) , Na2SiF5

Sodium strontium niobium oxide,

NaSr2(Nb03)5

Sodium strontium phosphate,

NaSrP04

Sodium sulfate, Na2S04

Sodium sulfate (thenardite) , Na2S04

Sodium sulfate hydrate,

Na2S203-5H20

Sodium sulfide, Na2S

Sodium sulfite, Na2S03

Sodium telluride, Na2Te

Sodium tin fluoride, NaSn2F5

Sodium titanium oxide, Na2Ti307 ... Sodium titanium phosphate,

NaTi2(P04)3

Sodium tungsten oxide, Na2W04

Sodium tungsten(VI) oxide hydrate,

Na2W04-2H20

Sodium vanadium oxide, a-NaVOs .... Sodium vanadium oxide, p-NaVOs .... Sodium zinc fluoride, NaZnFs

Sodium zinc sulfate hydrate,

Na2Zn(S04)2 •4H2O

Sodium zirconium fluoride,

Na7Zr6F3i

Sodium zirconium phosphate,

NaZr2(P04)3

Strontium aluminum hydroxide,

Sr3Al2(0H)i2

Strontium aluminum oxide, SrAl204 . Strontium aluminum oxide, Sr3Al206

Strontium arsenate, Sr3(As04)2

Strontium azide, Sr(N3)2

Strontium borate, SrB204

Strontium borate, SrB407

Strontium bromate hydrate,

Sr(Br03)2-H20

Strontium bromide fluoride, SrBrF

Strontium bromide hydrate,

SrBr2-6H20

Strontium carbonate (strontianite)

,

SrCOg

6m 68

18m 64

6 50

4 62

18m 66 10m 134 3m 49

3m 50

13m 39

2m 35

5m 54

7m 68 9m 55 10m 135 8m 141

lOra 136

16m 68

20m 89

19m 77 11m 57

2 59

17m 74 10m 140

3 60 10m 141 7m 166 16m 69

19m 79 Im 47

2m 33 18m 67 18m 68 6m 74

6m 72

8m 144

19m 81

10m 50 20m 91 10m 52

2m 36 8m 146 3m 53 4m 36

1711. 76 10m 54

4 60

3 56

134
Vol . or

Sec. Page

Strontimn chloride, SrCl2 4 40 Strontium chloride fluoride, SrClF 10m 55 Strontium chloride hydrate,

SrCl2-2H20 11m 58 Strontium chloride hydrate,

SrCl2-6H20 4 58 Strontium chloride hydroxide

phosphate, BrgCl esCOH) _35(P04)3 11m 60 Strontium chromium oxide, SrCr207 17m 77 Strontium chromium oxide, Sr2Cr04 16m 71 Strontium chromium oxide hydrate,

SrCr207-3H20 17m 79 Strontium fluoride, SrF2 5 67 Strontium hydroxide, Sr(0H)2 13m 41 Strontium hydroxide hydrate,

Sr(0H)2-H20 ' 13m 42 Strontium hydroxide hydrate,

Sr(0H)2-8H20 13m 43 Strontium indium hydroxide,

Sr3ln2(0H)i2 6m 76 Strontium iodide hydrate,

Srl2-6H20 8 58 Strontium iron oxide, SrFej20i9 ... 18m 69 Strontium manganese oxide,

SrHnOg (cubic) 10m 56 Strontium manganese oxide,

SrMn03 (hexagonal) 10m 58 Strontium molybdenum oxide, SrMo04 7 50 Strontium nitrate, Sr(N03)2 12m 31 Strontium oxide, SrO 5 68 Strontium oxide, Sr02 6 52 Strontium oxide hydrate, Sr02*8H20 11m 61 Strontium phosphate, a-Sr2P207 .... 11m 62 Strontium phosphate, a-Sr3(P04)2 11m 64

Strontium scandium oxide hydrate,

Sr3Sc206-6H20 6m 78 Strontimn silicate, a-SrSiOg 20m 93 Strontium silicate, Sr3Si05 13m 44 Strontium sulfate (celestite), SrS04 2 61 Strontium sulfide, SrS 7 52

Strontium telluride, SrTe 4m 69 Strontium tin oxide, SrSn03 8m 80 Strontium titanium oxide, SrTi03 .. 3 44 Strontium tungsten oxide, SrW04 ... 7 53 Strontium tungsten oxide, Sr2W05 .. 12m 32 Strontium vanadium oxide, Sr3(V04)2 15m 73 Strontium zirconium oxide, SrZr03 . 9 51 Strontium zirconium phosphate,

SrZr4(P04)6 20m 94 Sulfamic acid, H2NSO3H 7 54

Sulfur, S (orthorhombic) 9 54

Tantalum, Ta 1 29 Tantalum silicide, TaSi2 8 59 Tantalum tungsten oxide, Ta2W08 ... 20m 96 Tellurium, Te 1 26 Tellurium(IV) oxide (paratellurite)

,

TeOg (tetragonal) 7 56 Tellurium(IV) oxide, paratellurite,

TeOg (tetragonal) 10 55 Tellurium(IV) oxide, tellurite,

Te02 (orthorhombic) 9 57 Terbium arsenate, TbAs04 3m 54

Terbium arsenide, TbAs 5m 75 Terbium nitride, TbN 4m 70 Terbium phosphide, TbP 5m 76 Terbium selenide, TbSe 5m 76 Terbium sulfide, TbS 5m 77 Terbium telluride, TbTe 5m 77

Vol. or

Sec. Page

Terbium vanadium oxide, TbV04 5m 56 Thallium, a-Tl 16m 73 Thallium aluminum sulfate hydrate,

T1A1(S04)2'12H20 6 53 Thallium(I) arsenate, TI3ASO4 2m 37 Thallium azide, TIN3 8m 82

Thallium(I) bromate, TlBr03 8 60

Thallium bromide, TlBr 7 57 Thallium cadmium sulfate,

Tl2Cd2(S04)3 8m 83 Thallium(I) chlorate, TICIO4 2m 38 Thallium(I) chlorate, TICIO3 8 61 Thallium(I) chloride, TlCl 4 51 Thallium chromium oxide, Tl2Cr04 .. 3m 54

Thallium chromium sulfate hydrate,

TlCr(S04)2-12H20 6 55 Thallium cobalt sulfate,

Tl2Co2(S04)3 8m 85 Thallium cobalt sulfate hydrate,

Tl2Co(S04)2-6H20 7m 70 Thallium copper sulfate hydrate,

Tl2Cu(S04)2-6H20 7m 72 Thallium fluoride, TIF I6m 74 Thallium gallium sulfate hydrate,

TlGa(S04)2-12H20 6 57 Thallium(I) iodate, TIIO3 8 62 Thallium(I) iodide. Til

(orthorhombic) 4 53 Thallium iron sulfate hydrate,

Tl2Fe(S04)2-6H20 8m 87 Thallium lead sulfate,

Tl2Pb(S04)2 15m 74 Thallium magnesium chromium oxide,

Tl2Mg2(Cr04)3 8m 89 Thallium magnesium sulfate hydrate,

Tl2Mg(S04)2-6H20 7m 74 Thallium manganese sulfate,

Tl2Mn2(S04)3 7m 76 Thallium nickel sulfate hydrate,

Tl2Ni(S04)2-6H20 7m 78 Thallium(I) nitrate, TINO3 6 58 Thallium oxide (avicennite) , TI2O3 I6m 77 Thallium(III) oxide, TI2O3 2 28 Thallium(I) phosphate, TI3PO4 7 58 Thallium(III) phosphate, TIPO4 7 59 Thallium platinum chloride,

Tl2PtCl6 5 70 Thallium silicon fluoride, Tl2SiFg 6 56

Thallium strontium sulfate,

Tl2Sr(S04)2 15m 75 Thallium(I) sulfate, TI2SO4 6 59 Thallium(I) thiocyanate, TICNS .... 8 63 Thallium tin chloride, TlzSnClg ... 6 54

Thallium(I) tungsten oxide, TI2WO4 Im 48 Thallium zinc sulfate hydrate,

Tl2Zn(S04)2-6H20 7m 80 Thorium arsenide, ThAs 4m 70 Thorium carbide, ThC 18m 71 Thorium molybdenum oxide,

a-Th(Mo04)2 20m 98 Thorium molybdenum oxide,

p-Th(Mo04)2 20m 100 Thorium nitrate hydrate,

Th(N03)4-5H20 18m 72 Thorium oxide (thorianite) , Th02 -• 1 57 Thorium silicate (huttonite)

,

p-ThSi04 20m 102 Thorium tantalum oxide, Th2Ta209 .. 20m 104

135
Vol . or

Sec. Page

Vol. or

Sec. Page

Thorium tungsten oxide, a-Th(W04)2.

Thulium arsenate, TmAs04

Thulium arsenide, TmAs Thulium nitride, TmN Thulium oxide, Tm203

Thulium telluride, TmTe Thulium vanadium oxide, TmV04

Tin, a-Sn (cubic)

Tin, p-Sn (tetragonal)

Tin arsenide, SnAs Tin arsenide, SnsgAss

Tin chloride hydrate, SnCl2-2H20 .. Tin(II) fluoride, SaFg

Tin hydrogen phosphate, SnHP04 .... Tin(IV) iodide, Snl4

Tin(Il) oxide (romarchite) , SnO ... Tin(lV) oxide (cassiterite) , Sn02

Tin sulfide (berndtite), p-SnSg ... Tin(II) telluride, SnTe

Titanium, Ti

Titanium carbide, TiC

Titanium(lll) oxide, TiOj 5^5 Titanium oxide (anatase), Ti02 .... Titanium oxide, brookite, Ti02

(orthorhombic)

Titanium oxide (rutile), Ti02

Titanium silicide, TisSis

Titanium sulfide, TiS2

Titanium sulfide, Ti2S

Tungsten, W Tungsten, W (reference standard) .. Tungsten oxide, WO2

Tungsten sulfide (tungstenite) , WS2

Uranium nitride, UN Uranium oxide, UO

Uranium oxide (uraninite), UO2 .... Uranium selenide, USe

Uranium telluride, UTe Vanadium, V Vanadium oxide (karelianite) , V2O3.

Vanadium(V) oxide (shcherbinaite)

,

V2O5

Vanadium sulfide, a-V^S

Vanadium sulfide, P-V3S

Ytterbium arsenate, YbAs04

Ytterbium arsenide, YbAs

Ytterbium fluoride, YbF3

Ytterbium nitride, YbN

Ytterbium oxide, Yb203

Ytterbium selenide, YbSe

Ytterbium telluride, YbTe

Ytterbium(III) vanadium oxide, YbV04

Yttrium, Y Yttrium arsenate, YASO4

Yttrium arsenide, YAs Yttrium chloride oxide, YClO

Yttrium chromium oxide, YCrOs

Yttrium oxide, Y2O3

Yttrium phosphate (xenotime), YPO4

Yttrium sulfide, YS Yttrium telluride, YTe Yttrium titanium oxide, Y2Ti05 .... Yttrium vanadium oxide, YVO4

Zinc, Zn

Zinc aluminum oxide (gahnite)

,

ZnAl204

Zinc ammine bromide, Zn(NH3)2Br2

Zinc ammine chloride, Zn(NH3)2Cl2

20m 106 Zinc antimony oxide, ZnSb204 4m 39 3m 56 Zinc Arsenate Hydrate (koettigite)

,

4m 71 Zn3(As04)2-8H20 19m 85 4m 71 Zinc borate, Zn4Be0i3 13m 48

9 58 Zinc carbonate, smithsonite, ZnC03 8 69 4m 72 Zinc chlorate hydrate.

5m 57 Zn(C104)2-6H20 16m 79

2 12 Zinc chromium oxide, ZnCr204 ...... 9m 59

1 24 Zinc cobalt oxide, ZnCo204 10m 60

4m 37 Zinc cyanide, Zn(CN)2 5 73 15m 76 Zinc fluoride, Znl'2 6 60 17m 84 Zinc fluoride hydrate, Znl'2 '^1120 • llm 69 3m 51 Zinc germanium oxide, Zn2Ge04 10 56

13m 46 Zinc hydroxide silicate hydrate.

5 71 hemimorphite , Zn4(0H)2Si207 •H2O .. 2 62

4 28 Zinc iodide, Znl2 9 60

1 54 Zinc iron oxide (f ranklinite)

,

9m 57 ZnFe204 9m 60

7 61 Zinc manganese oxide (hetaerolite)

,

3 4 ZnMn204 10m 61 18m 73 Zinc molybdenum oxide, Zn2Mo30g ... 7m 173

9 59 Zinc nitrate hydrate.

7m 82 a-Zn(N03)2-6H20 12m 36 Zinc oxide (zincite), ZnO 2 25 3m 57 Zinc phosphate, a-Zn3(P04)2 16m 80

7m 83 Zinc phosphate, p-Zn3(P04)2 16m 81

8 64 Zinc phosphate, Y-Zn3(P04)2 l6m 83 4m 72 Zinc phosphate hydrate (hopeite) , 8m 149 Zn3(P04)2-4H20 16m 85

1 28 Zinc selenide, ZnSe 3 23 8m 2 Zinc silicate (willemite), Zn2Si04 7 62 18m 74 Zinc silicon fluoride hydrate.

8 65 ZnSiF6-6H20 8 70 18m 75 Zinc sulfate (zinkosite), ZnS04 ... 7 64

5m 78 Zinc sulfate hydrate (gunningite)

,

2 33 ZnS04-H20 19m 86

5m 78 Zinc sulfate hydrate (goslarite).

4m 73 ZnS04-7H20 8 71 9m 58 Zinc sulfide (wurtzite), a-ZnS

20m 108 (hexagonal) 2 14 Zinc sulfide (sphaelerite) , p-ZnS

8 66 (cubic) 2 16 14m 118 Zinc telluride, ZnTe 3m 58 14m 120 Zinc tin oxide, Zn2Sn04 10m 62 4m 38 Zinc titanium oxide, ZnTi03 13m 49 4m 73 Zinc titanium oxide, Zn2Ti04 12m 37 20m 109 Zinc tungsten oxide (sanmartinite)

,

4m 74 ZnW04 2m 40 6m 80 Zinc vanadium oxide, Zn3(V04)2 .... 20m 111 5m 79 Zirconium, a-Zr 2 11 5m 79 Zirconium boride, ZrB2 20m 113 5m 58 Zirconium fluoride, ZrF4 18m 79 18m 77 Zirconium hydride, ZrH2 5m 60 2m 39 Zirconium hydrogen phosphate hydrate.

4m 74 Zr(HP04)2-H20 20m 114

Im 51 Zirconium iodate, Zr(I03)4 Im 51 19m 83 • Zirconium nitride, ZrN 5m 80

3 28 Zirconium oxide, ZrO 5m 81

8 67 Zirconium oxide chloride hydrate,

5m 80 ZrOCl2-8H20 18m 81 4m 75 Zirconium phosphide, ZrP 4m 75 llm 113 Zirconium silicate, zircon, ZrSi04 4 68 5m 59 17m 86

1 16 Zirconium sulfate hydrate

(zircosulfate) , Zr (804)2 •4H2O 7 66

2 38 Zirconium titanium oxide, ZrTi04 .. 20m 115 llm 68 Zirconium titanium oxide.

10m 59 Zr5Ti7024 20m 116

136
CUMULATIVE ORGANIC FORMULA INDEX

CHI 3 CH4N2O

CH4N2S

CH5NO2

CHgNa-HCl

CH5N3S

C2Ag204

C2Fe04-2H20

C2HNa04-H20

C2H2Ca04

C2H204-2H20

C2H204Pb

C2H204Sr

C2H204Sr'2H20

C2H3KO4

C2H3Na02-3H20

C2H4N2O2

C2H5NO2

C2H7NO2

C2H8N2-2HC1

C2H8N204-H20

C2K204-H20

C2Li204

C2Na204

C204Rb2 -11202 C3H7N02

C3H7N02S

C3H9N-HC1

C4H3K08-2H20

C4H4Ca05-2H20

C4H4KNa06-4H20

C4H4Mn06

C4H4N08Y-H20

C4H4Na206'2H20

C4H6Co04-4H20

C4H6Hg204

C4H6Ni04-4H20

C4H604Zn-2H20

C4H6O6

C4H606U-2H20

C4H7N3O

C4H8N8O8

C4H8N8O8

C4H8N8O8

C4H8N8O8

C4H22B20

C5H4N4O3

C5H4N4O3

C5H7CuN04-2H20

C5H7N04Zn-2H20

C5H8NNaO4-H20

C5H9NO4

C6H3N3O7

C6H5NO2

C6H8Cl2N4Zn

C6H8N2'HC1

C6H806

C6H12N4

Vol. or

Sec. Pa ce

Iodoform 18m 34 Urea 7 61 Thiourea 17m 83

Anunoniujn formate 11m 9 GuanldiniujTi chloride 17m 35 Thiosemicarbazide 17m 81 Silver oxalate 9in 47 Iron oxalate hydrate (humboldtine) 10m 24

Sodium hydrogen oxalate hydrate 17m 72 Calcium formate 8 16 Oxalic acid hydrate 16m 55

Lead formate 8 30

Strontium formate 8 55 Strontium formate hydrate (orthorhombic) 8 56

Potassium f ormate~formic acid complex 9m 93

Sodium acetate hydrate 15m 66

Glyoxime 8m 102

Of-Glycine 17m 34

Ammonium acetate 8m 95 Ethylenediamine Hydrochloride 19m 43

Ammonium oxalate hydrate (oxammite) 7 5 Potassium oxalate hydrate 9m 39 Lithium oxalate 10m 34

Sodium oxalate 6m 70 Rubidium oxalate perhydrate 9m 102

L-Alanine 8m 93

L-Cysteine 11m 86

T r ime thy 1 ammonium chloride 9m 113

Potassium hydrogen oxalate hydrate 17m 60

Calcium malate hydrate 10m 76 Potassium sodium tartrate hydrate 15m 55

Manganese Tartrate 19m 57 Ammonium yttrium oxalate hydrate 8m 97 Sodium D-tartrate hydrate 11m 110

Cobalt acetate hydrate 12m 19 Mercury acetate 17m 51

Nickel acetate hydrate 13m 31 Zinc acetate hydrate 18m 78 D~Tartaric acid 7m 168

Uranyl acetate hydrate 18m 76 Creatinine 15m 31 a-HMX 11m 100 P-HMX 11m 102

Octahydro-1 , 3 ,5 , 7-tetranitro1 , 3 ,5 , 7-tetrazocine , alpha- 11m 100

Octahydro- 1,3,5, 7-tetranitro1 , 3 ,5 , 7-tetrazocine , beta- 11m 102

bis— (0— Dodecaca rbo r ane

)

6m 7 Uric acid, phase 1 (calc. pattern) 8m 154

Uric acid, phase 1 16m 78 Copper glutamate hydrate 7m 110

Zinc glutamate hydrate 7m 170

Sodium glutamate hydrate 17m 70 p-L-Glutamic acid 17ra 32

Pentaerythritol 17m 55 Picric acid 16m 56

Nicotinic acid 16m 54

•y-Hydroquinone 8m 107 Zinc diimidazole chloride 7m 123

Phenylhydrazine hydrochloride 17m 56

L-Ascorbic acid 8m 99 Hexamethylenetetramine 17m 37 Dextrose 11m 28

137
Vol. or

Sec. Page

rHn * • '-6"l2'-'6

UU Vj ± LH_ L> 1> tr 1 im Zo

*-6" 1 5"°'-' 1 2'-'3 "''2'-' 11\J Holrm J. Ml ± iim Liill ^^t'hxT'i crUliyj.oLlXJ>aLC; qiiI f^il"*^ liy(JLaL.t^ rixT f\ r ^ 1 m 1 R

liCi-HJ yillX UJII trHiyj.oLliiaL-C, liyULaL-C

q L^1

KJ Lj

L \J IIIKJ IJ

C IL ^ \J

X d^wj.

U

m"~f'nl III \j It I-kJr\

Lf r\r\ \J\JC r\11 "7 r\ 1J. c\^ a\ar^iL\lH Lytls* U2 p—FluofobGnzoic acid i Dm 1A r H Tn p 1 0 dob GHZ0 i c Acid 11 Qm UlH / Mg thy1 s ul f onani 1 ide Om 7Q rL7H12U4 H n PiniGlic acid 7m/m 1 J J r H Ho n Mercury o~phtlialat.G 1 Hm i 1 J rLgM5KU4 H i^n Potassium hydrogen o~phtlialatG 4in JU r H n T1 Thallium hydrogen phthalate 11 Amom / J r H M n 2 , 4 , 6'"Trinitrophenetole omQm 1 DZ run p*"Anisic acid 11 Amom 1 1 14m JO

Af^f^t^Jini 1 ^ ft l6m 71 81 1^*2 3 Sodium barbital 11 Amom 1 R 7 1 J / LgHi2iN2U3 Barbital, form I 1i Dm^m 11 Zu9A

'^8"12'^2'-'3 Barbital, fo rtn 1 1 i jm 11 Zo9 R

'-8"12^^2*-'3 DdLU-LUaX, -i 1- a 1 -Fr\r-m lOLlll J.V TU 1 ^IM 1 JU

^^9" 1 4^^2"-'3 M#=»t'ViaY'h"i lie L.ii<3x. UX l^a J- 15m 177

*-10"12'^2'-'3 rt J. i o u

a

rDX

L

a 1 11 Am^m Al4 1 10" 1 2''2'-'8 r't'n'\7l f^n ft 1 arm nf^t"^1" Y'aar^ol" n c Ar*! rl Xj Uliy XtrllCrLiitJlllXllC: LC Ul <lat_C L-X^ rtl_ XLI 19m HO

r, ^H, ,-NO-Hn \ } ijiJiicr*_ixxi.ic; iiyuxu\„iix>jxx'jc I6m 124 1 1" 1 6" 2*-'3 UinbAr*hi1"pl VXlll-'Cll-U'Xl.'ClX* X^KJ forrn X-\\\ TX I6m 162

'^ll''18'^2'^3

A iTi*~» ri ^a»"r4Tl"Ql \ f\ vmT rtlllU UdtUXLaij XUxIll X 1 J in 1 1 A '^ll'il8"2"3 rUlll^ AmoV>aT*hi1"a1 L/OXUXL-dX, "TXUXllI o rrn XXTT X Jill 117 ^ 12" 10^ 2

7m/ m RA 1 2*1 1 2 2

-1 Dcll^XUXIltr iiytJxUCIlXUI iLit; 11 ftm om 1 A

r'^12"12'^2'-'3 „H „w n„ XllcrllOUclxUXLciX, XOxlll XXX 11 Amoin 1 AA 121 2 2 t »jii2'-' X LlC^liWUdl. tJ S. L-cIX iiyuxdi-d 19m 88

1216 2 UJ-' ft PiTnTif^y VytJUUCX I'^^t' L-CUXdLiyXdZiL^XC T'snxrr'a'zril f^Vil I^ILXLIXXIXC r»Y""i Ha Sm

J 1

121628 iixi_i\.cx L-Cuxduyxd^uxc i^iixuxxvicr 8m 44 ^ 1 2" 1 6*^^' 1 0^6 v_fWL/L/ci. L.c^i^xdxiiixud^wxcr iixi-XdirC 13m 24 1 2" 16"2 iM ji"Nl—r)imf»t"h\7l t"r" vn 1" a m "i n p y LyXlllC-L-liy X L.X i-dlllXllC 14m 109 1 21 6 2

Riifnl'f^ni UIXX l^^llXlldJ nf» 15m 133 1216 2 Pel X o XXL'^Xll 1 r\r*"in I6m 152

'-12"22*-'ll

O U. l_X o c 1 Im 66

'-12"26^2*-'4 ixcr T-f £i

vAdillc; mc^\'Uliy \\'\jtq mmn t i i maHn t\a o X trllcU X dllUIKJli X LUll d U Xpd U t: / 111 121

xxui^dxiit: liyuxUCilXOxxutr l6m 1 AQ

13"2 l"2'-'4'^ PcT 1 /~»f^\7l^i

n m*^l"hanr^l a'f'A

X o ixui-y uxii iiic uiidiiuxd I6m 154

rH FD 1411 /i

— Ar^£»'t"X7l— / — tI i)/~iy**^/li r^riorTXTl H- rtt^cLyx £. xxixuxuuxpiitriiyx 8m

Q 1

!/ 1 Mf^ lie uiidpyx n a TT\7 V 1xxciic 1 iiyiixui^iixux H\7/1 f Vi 1 (*^t*ixuc:: Ha I4m 112

^15"12^2'-'

R

— 1 a >" r\ ^1

ma "7 £»T^T no

p V-idxUdllld^trpXIlt: l8m 24 run '-15"12^2 Dibenzoylme thane 7m/ in 1 1 i 1 J

^16"13'-J^^2'JD ia zepam 11 AmHHl 1 flA 1 UD ^16" 13" liM — Pri*:inT7l riltrliyx — / — nQT»ri'l"r>T7l lid m i n o p 11 Liiy X diiixiitr 9Q

v.'i7riiQi.^xi"i2'^ Lill

XUX

p

X OHId ^ X lltr 14m 60

L;^7n]^9lNU3nLl Morphine hydrochloride hydrate 11 Amom

17 214 "^1 L**Cocaine hydro chl o r i de 11 AmUlll 11 1X

LH- ^ 7"2 5

Prion(^'\7i~'lT Ht no r>T7Hv/^r'ril /^vi (\a

X iitrii cyt-xxuxiit! liyuiui^iixuLXLic I6m 141 2 8 2 1 3 "-Dr zn2^ Codeine hyd rob r omi de hyd r a t e 1 Am 1 ] 7 '-18"24'-1^14'-'6 Cadmium hexaimidazole nitrate AmOul ^18"24'^14^1^6 iiXt-lvtrX lltrAdXIIIXUdz.OXt: iiXL.XdLCr 7m/ 111 £. 1 P H M n Q '-18"2 8J^2'-'4^ ( + ) "Amphetamine .sul fate 1 f^m 1 Dm 1 1 Q r.„H„ Qii 2 1 Nf) i'*-* 4 -Hn iivj 1 • Zii2^n W rial f~\'v r\T\ a r»irHv/^i^ril /"^vi Ho n\7Hi'*?a't"o lidXUAOllt: liyuxOCllXOxXiitr IiyUxdUt: 11 AmUlll ^19^22^2^ P"iXllV-liwllXllC nphAni nf* 17m 26

Cl9H2 4N2-HCl Imipramine hydrochloride 16m 129 C2oH25N03-HCl Benactyzine hydrochloride 16m 92 C20H34 a-Dihydrophyllocladene , hartite

(or bombiccite) 16m 122 C21H23C1FN02 Haloperidol 16m 127 ^2 1H30O2 Cannabidiol 16m 111 C22H25C1N20S'2H20 Clopenthixol hydrate 17m 28

'-22^3004 A^-Tetrahydrocannabinolic acid

B I6m 160

138
Vol. or

Sec. Page

^24^32^202^*^ Palladium bis- (N-isopropyl-3-

ethylsalicylaldiminate) 7m 144 C25H1 N-Methylphenaziiiium-7 ,7,8,8-

tetracyanoquinodimethanide 7m 146 C33H40N2O9 Reserpine 8m 123

139
CUMULATIVE ORGANIC NAME INDEX

Vol. or

Sec. Page

Acetanilide CgHgNO (calc. pattern) 14m 38 Acetanilide CgHgNO 16m 7 4-Acetyl-2 ' -f luorodiphenyl C14H11FO 8m 91 Alanine, L- CH3CHNH2CO2H 8m 93 Allobarbital C10H12N2O3 14m 41 Amobarbital, form I C11H18N2O3 15m 114 Amobarbital , form II C11H18N2O3 15m 117 Ammonium acetate NH4-CH3C02 8m 95 Ammonium formate NH4HCO2 11m 9 Ammonium oxalate hydrate (oxammite) (NH4)2C204-H20 7 5 Ammonium yttrium oxalate hydrate NH4Y(C204)2-H2 0 8m 97 Amphetamine sulfate, (+)- 15m 119 p-Anisic acid 16m 11 Ascorbic acid, L- 8m 99 Azobenzene CgHsNNCgHs 7m 86 Barbital, form I C8H12N2O3 15m 126 Barbital, form II C8H12N2O3 15m 128 Barbital, form IV ^ 8^ 1 2^ 2^3 15m 130 Benactyzine hydrochloride C2oH25N03-HCl 16m 92 Benzidine hydrochloride Ci2Hi2N2-2HCl 18m 14 o-Bromobenzoic acid C7H5Br02 16m 22 Bufotenine C12H16N2O 15m 133 Cadmium hexaimidazole nitrate Cd(C3H4N2)6(N0 3)2 8m 23 Calcium formate Ca(HC02)2 8 16 Calcium malate hydrate Ca(02C)2(CH2CH0H) •2H2O 10m 76 Cannabidiol ^2 1^30^2 16m 111 Carbamazepine , p- C15H12N2O 18m 24 m-Chlorobenzoic acid C7H5CIO2 16m 30 Chlorpromazine C17H19CIN2S 14m 60 Cinchonine C19H22N2O 17m 26 Clopenthixol hydrate C22H25C1N20S-2H20 17m 28

Cobalt acetate hydrate Co(C2H302)2-^H 2O 12m 19 Cocaine hydrochloride, L- Ci7H2iN04-HCl 16m 114 Codeine hydrobromide hydrate Ci8H2iN03-HBr- 2H2O 16m 117 Copper glutamate hydrate Cu(02C)2(H2NCHCH2CH2) •2H2O 7m 110

Copper tetraimidazole nitrate Cu(C3H4N2)4(N0 3)2 13m 24

Copper tetrapyrazole chloride Cu(C3H4N2)4Cl2 8m 31 Creatinine C4H7N30 15m 31 Cysteine, L- HSCH2-CH(NH2)

•

COOH 11m 86

Dextrose ^6^1206 11m 28 Diazepam Cl6Hl3ClN20 14m 106 Dibenzoylme thane (C6H5C0)2CH2 7m 115 Dihydrophyllocladene , a-, hartite (or

bombiccite) C20H34 16m 122

(N ,N) -Dimethyl tryptamine C12H16N2 14m 109 bis- (o-Dodecacarborane) C4B20H22 6m 7 Ephedrine hydrochloride, (-)- CloHisNO'HCl I6ra 124 Ethylenediamine hydrochloride C2H8N2-2HC1 19m 43

Ethylenediaminitetraacetic acid ^10^12^208 19m 45 p-Fluorobenzoic acid C7H5FO2 16m 36 Glucose ,a-D- ^6^1206 11m 28

Glutamic acid, p-L- C5H9NO4 17m 32 Glycine, a- C2H5NO2

•

17m 34

Glyoxime H2C2(N0H)2 8m 102 Guanidinium chloride CHsNg-HCl 17m 35 Haloperidol C21H23CIFNO2 16m 127 Hexamethylenediammonium adipate (CH2)4(C02H3N) 2(CH2)6 7m 121 Hexamethylenetetramine C6H12N4 17m 37 HMX, a- C4H8N8O8 11m 100 HMX, p- C4H8N8O8 11m 102

Holmium ethylsulfate hydrate Ho [(C2H5)S04]3 •9H2O Im 18 Hydroquinone , Y~ HOC6H40H 8m 107

140
Vol. or

Sec. Page

Imipramine hydrochloride Ci9H24N2-HCl 16m 129 p-Iodobenzoic acid C7H5I02 19m 47 Iodoform CHI3 18m 34 Iron oxalate hydrate (hmnboldtine) FeC204-2H20 10m 24 Lead formate Pb(HC02)2 8 30 Lithium oxalate Li2C204 10m 34 Manganese tartrate C4H4Mn06 19m 57 Mercury acetate C4H6Hg204 17m 51 Mercury o-phthalate C6H4(C02Hg)2 10m 113 Methapyr i lene hydrochloride Ci4Hi9N3S-HCl 14m 112 Metharbital C9H14N203 15m 177 Methyl sulfonanilide C6H5NHS02CH3 9m 78 N-Methylphenazinium-7 , 7

, 8 , 8-tetracyanoquinodimethanide C2SH15N6 7ra 146 Morphine hydrochloride hydrate Ci7Hi9N03-HCl •3H2O 16m 133 Naloxone hydrochloride hydrate Ci9H2iN04-HCl •2H2O 16m 136 2-Naphthylamine , N-phenyl- C10H7NHC6H5

Nd [(C2H5)S04J3-9H20

6m 29 Neodymium ethylsulfate hydrate 9 41 Nickel acetate hydrate Ni(C2H302)2-4H20 13m 31 Nickel hexaimidazole nitrate Ni(C3H4N2)6(N03)2 7m 27 Nickel tetrapyrazole chloride Ni(C3H4N2)4Cl2 8m 44 Nicotinic acid C6H5N02 16m 54

Octahydro-1 ,3,5 ,7-tetranitro1 ,3,5 ,7-tetrazocine (a-HMX) C4H8N808 11m 100 Octahydro-1 , 3,5,7- tetra nit ro1 ,3,5 ,7-tetrazocine (p-HMX) C4H8N808 11m 102 Oxalic acid hydrate C2H204-2H20 16m 55 Palladium bis- (N-isopropyl-3-

ethylsalicylaldiminate) Pd(Ci2Hi6N0)2 7m 144 Pentaerythritol C5H1204 17m 55 Phencyclidine hydrochloride Ci7H25N-HCl 16m 141 Phenobarbital , form III C12H12N203 16m 144 Phenobarbital hydrate Ci2Hi2N203-H20 19m 88 Phenylhydrazine hydrochloride C6H8N2-HC1 17m 56 Picric acid C6H3N307 16m 56 Pimelic acid (CH2)5(C02H)2 7m 153 Potassium formate-formic acid complex K02CH-H02CH 9m 93 Potassium hydrogen o-phthalate C6H4(C00H) (COOK) 4m 30 Potassium hydrogen oxalate hydrate C4H3K08-2H20 17m 60 Potassium oxalate hydrate K2C204-H20 9m 39 Potassium oxalate perhydrate K2C204 •H202 9m 96 Potassium sodium tartrate hydrate C4H4KNa06-4H20 15m 55 Procaine hydrochloride C13H20N2O2 -HCl 16m 149 Psilocin C12H16N2O 16m 152 Psilocybin methanolate C13H21N2O4P 16m 154

Reserpine ^33^^40^209 8m 123 Rubidium oxalate perhydrate Rb2C204-H202 9m 102 Silver oxalate Ag2C204 9m 47 Sodium acetate hydrate C2H3Na02-3H20 15m 66 Sodium barbital C8HiiN2Na03 16m 157 Sodium glutamate hydrate C5H8NNa04-H20 17m 70 Sodium hydrogen oxalate hydrate C2HNa04-H20 17m 72 Sodium oxalate Na2C204 6m 70 Sodium D-tartrate hydrate (CH0H-C02Na)2 •2H2O 11m 110 Strontium formate Sr(CH02)2 8 55 Strontium formate hydrate Sr(CH02)2 •2H2O (orthorhombic) 8 56

Sucrose C12H22O11 11m 66

Tartaric acid, D- (CH0HC02H)2 7m 168 A^-Tetrahydrocannabinolic acid B C22H30O4 16m 160 Thallium hydrogen phthalate C8H5O4TI 16m 75 Thiosemicarbazide CH5N3S 17m 81 Thiourea CH4N2S 17m 83

Trimethylammonium chloride CgHgN-HCl 9m 113 2,4, 6-Trinitrophenetole C8H7N307 8m 152

Uranyl acetate hydrate C4H606U-2H20 18m 76 Urea C0(NH2)2 7 61 Uric acid, phase 1, (calc. pattern) C5H4N4O3 8m 154

Uric acid (phase 1) C5H4N4O3 16m 78 Vinbarbital, form I C11H16N2O3 16m 162

141
Vol. or Sec

.

Page

Zinc acetate hydrate

Zinc diimidazole chloride

Zinc glutamate hydrate,

C4H604-2H20

Zn(C3H4N2)2Cl2

Zn(02CCHNH2CH2CH2C02) •2H2O

18m

7m

7m

78 123

170

142
CUMULATIVE MINERAL INDEX

Vol. or

Sec. Page

Acanthite, AgzS 10 51 Acmite, NaFe(Si03)2 20m 86 Aeschynite CeNbTiOe 3m 24 Akermanite, Ca2MgSi207 20m 32 Alabaadite, MnS 4 11 Anatase, Ti02 7m 82 Andradite, Ca3Fe2Si30i2 9 22 Anglesite, PbS04 3 67 Anhydrite, CaS04 4 65 Annabergite, Ni3(As04)2 •8H2O 19m 60 Antarcticite , CaCl2*6H20 12m 16 Antimony, Sb 3 14 Aphthitalite, K3Na(S04)2 6m 52 Aragonite, CaCOs 3 53 Aragonite, CaC03 (calculated pattern) 14m 44 Arcanite, K2SO4 3 62 Arsenic, As 3 6 Arsenolite, AS2O3 1 51 Aurostibite, AuSbg 7 18 Avicennite, TI2O3 I6m 77 "Azurite, Cug (OH) 2 (CO3 ) 2 10 30 "Bahianite, Al 5 ee^eo . 095^2 . gsOj g - I6m 87 Barite, BaS04 .

.' '. '. 10m 12 Bassanite, CaS04-0.5H20 18m 22 Berlinite, AIPO4 10 3 Berndtite, SnS2 9m 57 "Beryl, Be3Al2Si60i8 9 13 Bischofite, MgCl2-6H20 11m 37 Bismite, a-Bi203 3m 17 Bismoclite, BiOCl 4 54 Bismuth, Bi 3 20 Bismuthinite , 81283 5m 13 Bixbyite, a-Mn203 11m 95 -"Bloedite, Na2Mg(S04)2 •4H2O 6m 63

Boehraite, AlgOg-HaO 3 38 "'Bombiccite , C20H34 I6m 122 Borax, Na2B405(0H)4 •8H2O I6m 66

Bromargyrite , AgBr 4 46 Bromellite, BeO 1 36 "Brookite, Ti02 3m 57 Brownmillerite , Ca4Al2Fe20jQ 16m 28 Brucite, Mg(0H)2 6 30 Bunsenite, NiO 1 47 Burkeite, Na6C03(S04)2 11m 52 *Butlerite, Fe (OH) SO4 • 2H2O 10m 95 Cadmoselite, CdSe 7 12 Calcite, CaC03 2 51 Calomel, Hg2Cl2 13m 30 Carnallite, RMgClg-eHgO 8m 50

Carobbiite, KF 1 64 Cassiterite, Sn02 1 54

Celestite, SrS04 2 61 Cerianite, Ce02 1 56

Cerianite, Ce02 20m 38 Cerussite, PbC03 2 56

Cervantite, Sb204 10 8 "Chabazite, Ca2Al4Si8024 • I2H2O .... 19m 27 Chalcocyanite, CUSO4 3m 29 Chernovite, YASO4 2m 39 Chiolite, Na5Al3Fi4 16m 63 Chloraluminite, A1C13-6H20 7 3 Chlorargyrite, AgCl 4 44 Chloromagnesite , MgCl2 11m 94 Chromatite, CaCr04 7 13 Chromite, FeCr204 19m 50 Chrysoberyl, BeAl204 9 10

Vol. or

Sec. Page

Cinnabar, HgS 4 17 Claudetite, AS2O3 3m 9 Clausthalite, PbSe 5 38 Clinobisvanite , BiV04 3m 14 Clinoenstatite , MgSiOs 20m 69 Copper, Cu 1 15 Cordierite, Mg2Al4Si50i8 Im 28 Corundum, AI2O3 9 3 Cotunnite, PbCl2 12m 23 Covellite, CuS 4 13 Cristobalite (a or low) Si02

(tetragonal) 10 48 Cristobalite (a or low) Si02

(tetragonal, calculated pattern) 15m 180 Cristobalite (P or high) SiOj (cubic) 1 42 Cryolithionite , Li3Na3Al2Fi2 9m 23 Cryptohalite, (NH4)2SiF6 5 5 Cuprite, CU2O 2 23

"Derbylite, SbFe4Ti30i3(0H) I6m 89

^'^Diamond, C 2 5 "Diaspore, A1203-H20 3 41 Diopside, CaMg(Si03)2 5m 17 "Dravite, NaMg3Al6B3Si6027 (0H)4 ... 3m 47 Eitelite, Na2Mg(C03)2 Hm 56 Elpasolite, K2NaAlF6 9m 43

"-Enstatite, MgSiOg 6 32 Epsomite, MgS04-7H20 7 30 Eriochalcite, CuCl2-2H20 I8m 33 Erythrite, C03 (ASO4 ) 2 • 8H2O 19m 39 Erythrosiderite, K2FeCl5-H20 14m 27 Eskolaite, Cr203 5 22 Ettringite, CagAlgSsOig •3IH2O 8 3 Fairchildite, K2Ca(C03)2 8m 48

Farringtonite , Mg3(P04)2 19m 55 Fayalite, Fe2Si04 20m 59 Fluorapatite, Ca5F(P04)3 3m 22 Fluorite, CaF2 1 69 Forsterite, Mg2Si04 20m 71 Franklinite, ZnFe204 9m 60 Fresnoite, Ba2TiSi208 9m 14 Gahnite, ZrLAl204 2 38 Galaxite, MnAl204 9 35 Galena, PbS 2 18 Gaspeite, NiC03 Im 36 Geikielite, MgTi03 5 43 Gersdorf f ite , NiAsS Im 35 Glauberite, Na2Ca(S04)2 6m 59 Gold, Au 1 33 Goslarite, ZnS04-7H20 8 71 Greenockite, CdS 4 15 "Groutite, MnO(OH) 11m 97 Gunningite, ZnS04*H20 19ra 86 Gypsum, CaS04-2H20 17m 16 Halite, NaCl 2 41 "Hartite, C20H34 I6m 122 Hausmannite, Mn304 10m 38 Hematite, a-Fe203 18m 37 "Hemimorphite, Zn4(0H)2Si207 •H2O .. 2 62 Hercynite, FeAl204 19m 48 Hessite, Ag2Te 19m 73 Hetaerolite, ZnMn204 10m 61 "Hexahydroborite, Ca B(0H)4 2'2H20 I6m 104

Hieratite, K2SiF6 5 50

Hoernesite, Mg3(As04)2 •8H2O 19m 53

Hopeite, Zn3(P04)2 •4H2O I6m 85

Natural mineral

143
Vol. or

Sec. Page

Vol. or

Sec. Page

Huebnerite, MnW04 2m 24

Humboldtine, FeC204-2H20 10m 24

Humite, Mg7F2Si30i2 Im 30 Huttonite, p-ThSi04 20m 102

Hydromolysite, FeClg -61120 17m 40

Hydrophilite, CaCl2 11m 18 Ilmenite, FeTiOg 15m 34 Indialite, Mg2Al4Si50i8 Im 29 lodargyrite, Agl 8 51 Iron, a-Fe 4 3 Jacobsite, MnFe204 9 36 '<Julgoldite, Ca2Fe3Si30io(OH,0)2(OH)2 10m 72 Kalistrontite, K2Sr(S04)2 14m 31 Karelianite, V2O3 20m 108

Kieserite, MgS04-H20 I6m 46

Kirschsteinite , CaFeSi04 20m 28 Koettigite, Zn3(As04)2 •8H2O 19m 85 Kremersite, (NH4 ,K) 2FeCl5 •H2O I4m 8 Langbeinite, K2Mg2(S04)3 6m 40

Larnite, p-Ca2Si04 19m 29 Lautarite, Ca(I03)2 14m 12 Lead, Pb 1 34

"Leucophanite, NaCaBeFSi206 8m 138 Libethenite, Cu2(0H)P04 17m 30 "Liddicoatite , Ca (Li, A1)3A1 66381602

7

(0,0H)3(0H,F) 16m 42 Lime, CaO 1 43

Lime, CaO (calculated pattern) .... I4m 49 "Linarite, CuPb (OH) 2 (SO4 ) I6m 34 Litharge, PbO (red) 2 30

Lithiophosphate , Li3P04 4m 21 Loellingite, FeAsg 10 34

Loeweite, Na j2Mg7 (SO4 ) ^3 • I5H2O .... 14m 35 Lopezite, K2Cr207 15m 47 *Loveringite, Ca _ 72RE _ 33 (Y ,Th ,U

,

Pb) .osTi 12 .48^63. 38Cr2. 24^8. 92 Zr .58AI.39V 21Mn.04O.38 16m 106 Lueshite, NaNbOg 18m 64

Macedonite, PbTiOg 5 39 Magnesiochromite , MgCr204 9 34 Magnesite, MgC03 7 28 Magnetite, Fe304 5m 31 Malachite, Cu2(0H)2C03 10 31 Malladrite, Na2SiF6 I6m 68

Manganolangbeinite , K2Mn2 (804)3 ••• ^m 43

Manganosite, MnO 5 45 Marshite, Cul 4 38

- Mascagnite, (^4)2804 9 8 Massicot, PbO (yellow) 2 32 Matlockite, PbFCl 13m 25 Matteuccite, NaH804-H20 9m 52

Mayenite, Cai2Ali4033 9 20 Melanterite, FeS04-7H20 8m 38 "Meliphanite

,

Na.63Ca1.37BeAl.13Si1.87O6.25F. 75 8m 135 Merwinite, Ca3Mg(Si04)2 20m 34 Metaborite, HBO2 4m 27 Metacinnabar , HgS 4 21 Miargyrite, AgSbS2 5m 49 "Millerite, NiS Im 37 Minium, Pb304 8 32 Mitscherlichite, K2CuCl4-2H20 9m 34

Molybdenite, M0S2 5 47 Molybdite, M0O3 3 30 Molybdite, M0O3 (calculated

pattern) 20m 118

Monteponite, CdO 2 27 Monticellite, CaMgSi04 20m 30 Montroydite, HgO 9 39 Mullite, Al6Si20i3 3m 3 Nantokite, CuCl 4 35 "Newberyite, MgHP04-3H20 7m 139 Nickel-hexahydrite, p-NiS04 -61120 .. 19m 65 Niter, KNO3 3 58

Nitrammite, NH4NO3 7 4 Nitrobarite, Ba(N03)2 11m 14 Norbergite, Mg3F28i04 10 39 Oldhamite, CaS 7 15 Otavite, CdCOg 7 11 Oxammite, (^4)20204 -H2O 7 5 Palladium, Pd 1 21 Palladseite, Pdi7Sei5 I6m 139 Palmierite, K2Pb(804)2 14m 30 Paraguanajuatite , Bi2Se3 18m 16 "Paratellurite, Te02 10 55 Paratellurite, Te02 7 56

Periclase, MgO 1 37 Perovskite, CaTiOg 9m 17 "Phenakite, 6628104 8 11 Picromerite, K2Mg(804)2 -6H2O 8m 54

"Pirssonite, NagCa (CO3) 2 - 2H2O 9m 106 Platinum, Pt 1 31 Portlandite, Ca(0H)2 1 58

Potash alum, KA1(804)2 •I2H2O 6 36

Powellite, CaMo04 6 22 Pyrargyrite, Ag38b83 5m 51 Pyrite, Fe82 5 29

•-•Pyroaurite, Mg6Fe2C03 (OH) 16 '^HzO 10m 104

Pyrolusite, p-MnOg 10m 39 Pyrope, Mg3Al2 (Si04 ) 3 4m 24

Pyrophanite, MnTiOa 15m 42 "Quartz, Si02 (a or low) 3 24 Quartz, low, a-Si02 18m 61 Rammelsbergite , NiAs2 10 42 Retgersite, NiS04-6H20 7 36 Rhodochrosite , MnC03 7 32 Rokuhnite, FeCl2-2H20 11m 32 Romarchite, SnO 4 28 ''Roscherite , (monoclinic)

,

6e2Ca(Fe.3Mg.7)2A1.67(P04)3(0H)3-

2H2O 16m 96

""Roscherite , (triclinic) , 664032

(Mn3 . 9 iMg . 04Ca . 05 ) (Al . 1 3Fe . 42Mn .12)

(P04)6(0H)4-6H20 16m 100 Rutile, TiOg 7m 83 Safflorite, CoFeAs4 10 28 Salammoniac, NH4CI 1 59 Sanbornite, p-eaSigOj 13m 10 Sanmartinite , ZnW04 2m 40

Scacchite, MnCl2 8m 43

'Scheelite, CaW04 6 23 Schultenite, PbHAs04 14m 18 Selenium, Se 5 54

Selenolite, Se02 7m 60

Sellaite, MgF2 4 33 Senarmontite , Sb203 3 31 Shcherbinaite, V2O5 8 66

"Siderite, FeC03 15m 32 Silver, Ag 1 23 Silver, Ag (reference standard) ... 8m 2 "Sjogrenite, Mg6Fe2C03(0H) i6"^H20 10m 103

Skutterudite , C0AS3 10 21

144
Vol. or

Sec. Page

"Smithsonite , ZnCOs 8 69 Soda alum, NaAl (SO4 ) 2 • I2H2O 15m 68 "Sodalite, Na8Si6Al6024Cl2 7m 158 Soda niter, NaNOg 6 50 Sphaerocobaltite, C0CO3 10 24 Sphalerite, ZnS 2 16 Spinel, MgAl204 9m 25 Stibnite, SbgSg 5 6 Stilleite, ZnSe 3 23 Stolzite, PbW04 5m 34 Strontianite, SrCOg 3 56 Struvite, MgNH4P04 •6H2O 3m 41 Sulfur, S (orthorhombic) 9 54

Sylvite, KCl 1 65 Syngenite, K2Ca(S04)2 -HzO I4m 25 Szmikite, MnS04-H20 16m 49 Tellurantimony , Sb2Te3 3m 8 "Tellurite, Te02 9 57 Tellurium, Te 1 26 Tellurobismuthite , BigTeg 3m 16 Tenorite, CuO 1 49 Teschemacherite, NH4HCO3 9 5 Thenardite, Na2S04 2 59 Thermonatrite, Na2C03-H20 8 54

"Thomsenolite, NaCaAlF6;H20 8m 132 Thorianite, ThOg 1 57 Thortveitite, Sc2Si207 7m 58 Tiemannite, HgSe 7 35 Tin, a-Sn (cubic) 2 12 Tin, p-Sn (tetragonal) 1 24 "Topaz, Al2Si04(F,0H)2 Im 4 Trevorite, NiFe204 10 44 Trippkeite, CUAS2O4 l6m 120 "Trona, Na3H(C03)2 •2H2O 15m 71 Tschermigite, NH4A1(S04)2 •I2H2O ... 6 3 Tungstenite, WSg 8 65 Ulvospinel, Fe2Ti04 20m 61 Unnamed mineral,

. i6Ba,72Fe^36 Tis 58O13 16m 147 Uraninite, UO2 2 33 Uvarovite, Ca3Cr2 (8104)3 10 17 ""Valentinite , Sb203 10 6 Vanthoffite, Na6Mg(S04)4 15m 72 Villiaumite, NaF 1 63 Vivianite, Fe3(P04)2 -SHgO I6m 38 Wakefieldite, YVO4 5m 59 Willemite, Zn2Si04 7 62

Witherite, BaC03 2 54

Wulfenite, PbMo04 7 23 Wurtzite, ZnS 2 14 "Xanthoconite , Ag3AsS3 8m 126 Xenotime, YPO4 8 67 Yavapaiite, KFe(S04)2 I6m 59 Zinc, Zn 1 16 Zincite, ZnO 2 25

" Zincobotryogen , (Zn , Mg , Mn)Fe (SO4 )

2

(0H)-7H20 20m 67 Zinkosite, ZnS04 7 64

"Zircon, ZrSi04 4 68 Zircosulfate , Zr (SO4 ) 2 •4H2O 7 66

145

NBS-n4A (REV. 2-8C) U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATA

SHEET (See instructions)

1. PUBLICATION OR

REPORT NO.

NBS Monogr. 25, Sec.;'0

2. Performing Organ. Report No. 3. Publication Date

January 1984

4. TITLE AND SUBTITLE

Standard X-ray Diffraction Powder Patterns

Section 20 - Data for 71 Substances

5. AUTHOR(S) jyi^ c. Morris, H. F. McMurdie, E. H. Evans, B. Paretzkin, H. S. Parker,

N. P. Pyrros , and C. R. Hiobbard

6. PERFORMING ORGANIZATION (If joint or other thon NBS, see instructions) 7. Contract/Grant No. NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE 8. Type of Report & Period Covered

WASHINGTON, D.C. 20234

Final

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State, ZIP)

JCPDS - International Centre

for Diffraction Data

1601 Park Lane

Swflrthmn-pp. ^ pa i9nfti

10. SUPPLEMENTARY NOTES

Library of Congress Catalog Card Number: 53-61386

Document describes a computer program; SF-185, PIPS Software Summary, is attached.

11. ABSTRACT (A 200-word or less (actual summary of most significant information. If document includes a significant

bi bl iograptiy or literature survey, mention it here)

Standard x-ray powder diffraction patterns are presented for 71 substances. These

patterns, useful for identification, were obtained by manual or automated diffractometer methods or were calculated from published crystal structure data. The

lattice constants from the experimental work were refined by least-squares methods,

and reflections were assigned Miller indices consistent with space group extinctions. Relative intensities, calculated densities, literature references, and

other relevant data are included.

12. KEY WORDS (Six to twelve entries; o/phabeticol order; capitalize only proper names; and separate key words by semicolons)

crystal structure; densities; lattice constants; powder patterns; reference

intensities; standard; x-ray diffraction.

13. AVAILABILITY

[X] Unl imited Q For Official Distribution. Do Not Release to NTIS

Order From Superintendent of Documents. U.S. Government Printing Office, Washington, D.C.

20402.

[^^ Order From National Technical Information Service (NTIS), Springfield, VA. 22161

14. NO. OF

PRINTED PAGES

149

15. Price

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