CO Q

NBS MONOGRAPH 25—SECTION 1 9

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

Standard X-ray Diffraction

Powder Patterns
NATIONAL BUREAU OF STANDARDS

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standard X-ray Diffraction

Powder Patterns

Section 1 9 — Data for 51 Substances

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

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

International Centre for Diffraction Data

1601 Park Lane

Swarthmore, PA 19081

and

Camden R. Hubbard

National Measurement Laboratory

National Bureau of Standards

Washington, DC 20234

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

NATIONAL BUREAU OF STANDARDS, Ernest Ambler. Director

International Centre for Diffraction Data

Issued Decennber 1982
Library of Congress Catalog Card Number: 53-61386

National Bureau of Standards Monograph 25

Section 19—Data for 51 Substances

Natl. Bur. Stand. (U.S.), Monogr. 25—Sec. 19, 118 pages (Dec. 1982)

CODEN: NBSMA6

U.S. GOVERNMENT PRINTING OFFICE

WASHINGTON: 1982

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

Price 55.50

(Add 25 percent for other than U.S. mailing)
CONTENTS

Page

Introduction 1

Experimental patterns:

Aluminum yttrium oxide, AIYO3 7 Aluminum yttrium oxide, Al2Y40g .... 9

Aluminum yttrium oxide, AI5Y3O12 ••• 11

Ammonium cadmium phosphate hydrate,

NH4CdP04-H20 13

Barium aluminum titanium oxide,

BaAlgTiOia 14

Barium aluminum titanium oxide,

BagAlioTiOao 16

Barium boride, BaBg 18

Barium neodyiliium titanium oxide,

BaNd2Ti50i4 19

Bariiun tungsten oxide, BagWOg 21

Beryllium carbide, Be2C 23

Cadmium iodide, a-Cdl2 24

Calcium aluminum oxide hydrate,

Ca4Al60i3-3H20 25

Calcium aluminum silicate hydrate,

chabazite, Ca2Al4Sig024*12H20 27

Calcium silicate (larnite),

p-Ca2Si04 29

Calcium silicon fluoride hydrate,

CaSiF6-2H20 31

Cesium iodide, Cslg 33

Cesiiim molybdenum oxide, CS2M03O10 •• 35

Chromium boride, CrB2 37

Chromium niobium oxide, CrNb04 38

Cobalt arsenate hydrate (erythrite)

,

Co3(As04)2-8H20 39

Cobalt phosphate hydrate,

Co3(P04)2-8H20 40

Erbium iron, ErFe2 42

Ethylenediamine Hydrochloride,

C2H8N2-2HC1 43

Ethylenediaminetetraacetic Acid,

C10H12N2O8 45

Hafnium nitride, HfN .. 46

p-Iodobenzoic Acid, C7H5IO2 47

Iron aluminum oxide (hercynite),

FeAl204 48

Iron antimony oxide, FeSb04 49

Iron chromium oxide (chromite)

,

FeCr204 50

Lithium zirconium oxide, Li2Zr03 .... 51

Magnesium arsenate hydrate

(hoernesite) , Mg3(As04)2 •8H2O 53

Magnesium phosjphate (farringtonite)

,

Mg3(P04)2 55

Manganese tartrate, C4H4Mn06 57

Molybdenum silicide, MosSis 59

Nickel arsenate hydrate (annabergite)

,

Ni3(As04)2-8H20 60

Nickel molybdenum oxide, NiMo04 62

Nickel phosphate hydrate,

Ni3(P04)2-8H20 64

Nickel sulfate hydrate (nickel-hexahydrite), p-NiS04-6H20 65

Niobium, Nb 67

Potassium barium phosphate,

KBaP04 68

Potassium calcium phosphate,

KCaP04 70

Page

Potassium strontium phosphate,

KSrP04 71

Silver telluride (hessite) , Ag2Te ... 73

Sodium barium phosphate, NaBaP04 .... 75

Sodium strontium phosphate,

NaSrP04 77

Sodium titanium phosphate,

NaTi2(P04)3 79

Sodium zirconium phosphate,

NaZr2(P04)3 81

Yttrium chromium oxide, YCrOg 83

Zinc arsenate hydrate (koettigite)

,

Zn3(As04)2*8H20 85

Zinc sulfate hydrate (gunningite)

,

ZnS04-H20 86

Calculated pattern:

Phenobarbital hydrate,

Ci2Hi2N203-H20 88

Cumulative indices

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

Sections 1-19 inclusive)

1. Inorganic 90

2. Organic formula 106

3. Organic name 109

4. Mineral 112

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 9A9

card images of patterns of experimental data, published originally as Circular 539 (vols. 1-10) and Monograph 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.

NBS Publication Order Number NBS Publication Order Number

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Volume 2 PB 178 903

Volume 3 PB 178 904

Volume 4 PB 178 905

Volume 5 PB 178 906

Volume 6 PB 178 907

Volume 7 PB 178 908

Volume 8 PB 178 909

Volume 9 PB 178 910

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Monograph 25, Section 1 PB 178 429

Section 2 PB 178 430

Section 3 PB 178 431

Section 4 (order by section #)

Section 5

" Section 6

" Section 7 " Section 8 PB 194 872

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Section 12 COM 75-50162

Section 13 PB 254 073

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Section 18 SN 003-003-02370-1 5.50

ERRATA

Circular 539

Volume 8, p. 67: A least squares refinement of the d's gives results: a=6. 8837(2), c=6. 0197(5).

Several of the hkJK's need to be changed for angles higher than 100°.

Monograph 25

Section 11. PPSection 17, p.

Section 18,

PPP-P-PPPP18:

56:

32

34

3

910

35

63

63

Density should be 2.197.

Density should be 2.733.

The correct formula for a? is: i 2 - <i>,)

Z should be 4.

Density should be 1.608.

Figure 2 is upside down.

The value c/b should be 0.3548, and the calculated density should be 3. Add to the sample description "A final heating was made at 1350 °C for

The value c/b should be 0.5356.

In the reference to Bouaziz, delete the volume number 7. In the table, at d=1.5509, the intensity should be 14.

876.

2 days

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 19 Data for 51 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 51 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--International 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 50

experimental patterns, and is the twenty-ninth 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 ( ) indicates 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 Pennsylvania 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

Fran^aise 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.

Optical data . When reported, optical mea- surements were made by grain immersion methods,

in white light, using oils standardized in sodium

light, in the refractive index range 1.40 to 2.1

[Hartshorne and Stuart, 1970].

The names of the sample colors are selected

from the ISCC-NBS Centroid Color Charts [1965].

Interplanar spacings . All spacing determinations were made using an internal standard

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 intensity 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 lattice constants used

for them at 25 °C are given in Table 1; the 26

angles were computed using cell dimensions uncorrected for index of refraction.

Standard Reference Material 640, Si powder

(a=5

43088a) , was used for many patterns. This

SRM is now out of stock and has been replaced by

SRM 640a (a=5

430825a) , [1982; Hubbard, 1982a].

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^. D-spacing results using

SRM 640a will be in agreement with patterns re- corded in this series of Monographs since 1966.

1
A second internal standard, fluorophlogopite

(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,

1982b]. The calculated 26 values of the d(00£)

lines are given in Table 2.

Table 1

Calculated 26 Angles , CuKa^ h = 1.540598A

w

hk£ a=3.l6524A a=4

Ag o 08651A a=5

Si

430825A

±.00004 + 00002 + 000011 . (SRM 640a)

110 40.262

111 38 112 28 443

200 58.251 44 295

211 73.184

220 86.996 64 437 47 304

310 100.632

311 77 390 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

Data for SRM 640 can be found in previous mono- graphs of this series.

Table 2

SRM 675, Fluorophlogopite (FP)

d = 9.98104A

± 0.00007

Calculated 26 Angles, CuKa^ A = 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 25 ± 1 °C on a diffractometer 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: \(CuKai, peak)

= 1.540598A [Deslattes and Renins, 1973].

Due to a transition from strip chart to digital

recording the majority of the patterns reported in

this monograph were measured both manually and

automatically

Manual patterns were measured on a diffractometer equipped with a strip chart recorder. The

readings of 26 were taken at positions about 20% of

the way down from the top, and in the center of the

peak width. This avoided errors associated with

aberrations at the very top of the peaks. The

peaks were occasionally read to assist in

establishing a Ka^ peak position, but peaks

are not reported.

Automatic patterns were measured with a com- puter controlled diff ractometer . Digital data were measured on one of two diff ractometers con- trolled 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

POWPAT82 system of processing programs. 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 located with

the interactive graphics program PLOT. PATTERN/ INT.

This program displays the spectrum 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.

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 . REFLEC was used to calculate a polynominal 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. 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.

Comparisons between the two sets of 26 peak

positions of patterns that were processed both

manually and automatically showed agreement within

the estimated standard deviations. In most cases

the results of the digital processing are reported.

At low angles, Ka^ and Ko(2 peaks were unre- solved for both the sample and the internal standard. Internal standard corrections were established

from the theoretical values for Kcfj and were applied

to the unresolved low angle peaks, as well as to

the resolved Ka^ peaks in the higher angle regions.

For the manual patterns , if the internal standard

correction varied along the length of the pattern,

linear interpolations were used.

2
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 International 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

available, the lattice constants were obtained

by use of a four-circle diff ractometer . Axial

ratios and densities from Groth [1908] were sometimes useful. Cell constants were also found in some instances by use of the Visser computer

program [1969]

A least squares program [Evans et al., 1963]

assigned hkA's and refined the lattice constants.

Cell refinement was based only upon 26 values

which could be indexed without ambiguity. The

program minimized the value I(eobs"6calc)^

Generally, when two or more calculated 26 's were within 0.04 degrees of the observed 26, unique

indices were not assigned. The possible multiple

indices are reported. A plus sign (+) indicates more than 2 possible indices. In indexing cubic

patterns, for a given reflection multiple hkA's were not utilized or reported. Instead, a single

appropriate index was used.

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

of the reciprocal cell parameters were detennined

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

|20obs " ^e^alcl equation Ad/d = -(cot6)A6.

With these conditions , the rounded value of d

agrees with its appropriate 26 within the average

error in 26. 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

1977 atomic weights published by the International

Union of Pure and Applied Chemistry [1979].

Figure 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. A value

of M20 > 10 will guarantee the essential correctness

of the indexing provided there are not more than 2 spurious lines (X20 £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 measured

interplanar spacings is conveniently reported

using the format:

F = overall value (|A26| , N ) .

'

' ' 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 1 is the average absolute magnitude of discrepancy between observed and calculated 26 values

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

possible A2e is included in the | A26 [ . Nposs is

the number of diffraction lines allowed in the

space group, up to the N 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 ver- tical position.

Figure 1.

/

3
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)

Reference intensity ratio, I/I corundum' The

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^^-*" 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:

I (fixed) = ii?^

sm a

The estimated standard deviation, a, in the

relative intensity values was calculated from the

values of the five strongest lines, excluding the

line with I^^^IOO.

t2 =

1 n-1

n

I

k=l

(I,""\k) <I>.)

and

m

I

i=l

reference intensity ratio, I/Ic> has been defined

as the direct ratio of the intensity of the strongest

reflection of a sample, to the intensity of the 113

(hexagonal) reflection of corundum (a-Al203) [Visser

and de Wolff, 1964]. In this publication the ratios

I/Ic are tabulated for copper Ka^ radiation, for a 1:1 mixture by weight of the sample and corundum.

I/Iq was determined only for very common phases.

A procedure has been adopted to achieve

greater statistical accuracy [Hubbard and Smith,

1977]. For any weight fractions of sample and

corundum, Xg and X^. (Xg = l-X^,) , the intensities

for reflection h;^ of the sample and h2 of corundum

were measured for several combinations of hj and h2

usually within the same region of 26, to provide

indications of possible preferred orientation,

extinction, or other systematic errors. The

reference intensity ratio is then given by

I (113)

c

I^^^(h2) I(hi)

I^^^(hi) I^(h2)

where (h^) indicates specifically which reflection was chosen for tabulation purposes. For

each of our patterns, the reflection (hp) will be

the one with I = 100 since only copper radiation

was used. Typically, at least 3 sets of reflections

and 2 mountings of the mixture were used to

obtain 6 or more values for the reference intensity

ratio, I/Ic- These values yielded the tabulated

average <I/Ic>. From these data, the standard

deviation, a, was obtained from

- <I/I^>^

n(n-l)

where n was the number of measurements of the

reference intensity ratio. The standard deviation

in the least significant figures is given in

parentheses

Format of tables. The printing of the data

Superimposed reflections

If a d-spacing

has been computerized,

are treated in one of two ways

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 intensity column is used to indicate "less than 1".

UNITS

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 a. was multiplied by the conversion factor

_ I(comp)

I(fixed)

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 length, the volume of the unit cell

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

are reported in g/cm^ (1 gm/cm^ = 10^ kg/m^)

4
ACKNOWLEDGMENTS

We would like to thank Carolyn Wingo and

Donna Gladhill of the JCPDS Associateship for

their assistance, particularly for keyboarding

the data and helping with the proofreading of

this manuscript. Appreciation is also expressed

to the Text Editing Facility of the National

Measurement Laboratory of NBS for typing the

manuscript.

REFERENCES

Alexander, L. , Klug, H. P., and Kummer, 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 Hennard, 0. (1964). Acta

Crystallogr. 17, 1337.

Evans, H. T. , Jr., Appleman, D. E., and Handwerker,

D. S. (1963). Report y^PB2l6188, U.S. Dept. of

Commerce, National Technical Information Center,

5285 Port Royal Rd. , Springfield, VA 22151,

$3.50.

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

(Engelmann, Leipzig, Germany).

Hartshorne, N. H. and Stuart, A. (1970). Crystals

and the Polarizing Microscope , (Edward Arnold

and Co., London, 4th Ed.).

Hubbard, C. R. (1982a). J. Appl. Cryst. Accepted

for Publication.

Hubbard, C. R. (1982b). J. Appl. Cryst. Submitted

for Publication.

Hubbard, C. R. and Smith, D. K. (1977). Advances

in X-ray Analysis , (Plenum Publishing Corporation, 227 West 17th St., New York, NY 10011),

20, 27.

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, Berman, H. , and Frondel, C. (1944).

Dana ' s System of Mineralogy I, (John Wiley

and Sons, New York, 7th Ed.), 6.

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 Diff 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.

Visser, J. W. and de Wolff, P. M. (1964). "Absolute Intensities," Report 641.109, Technisch

Physische Dienst, Delft, Netherlands.

Wolff, de, P. M. (1968). J. Appl. Crystallogr. 1,

108.

5

Aluminum Yttrium Oxide, AIYOg

Synonym

Yttrium aluminate

CAS registry no. 12003-86-0

Sample

The sample was prepared at NBS. Calculated

amounts of AI2O3 and Y2O3 were mixed and

heated at 1675 °C for 1 day. The composition

was adjusted to approach the 1:1 phase, and

the mixture was reheated at 1600 °C for 4 days

and at 1675 °C for 3 days. The compound was ground daily during the process

Color

Yellowish white

Structure

Orthorhombic , Pnma (62), Z = 4, isostructural

with GdFeOa and YFeOg (Geller and Wood, 1956).

The structure of GdFeOs was determined by

Geller (1956). Coppens and Eibschiitz (1965)

refined the centric structure of GdFeOs and

YFeOs- The latter was refined also in the

alternative non-centrosymmetric space group

Pn2ia (33), and that refinement showed small,

possibly real, deviations from a centric

structure

Lattice constants of this sample

a = 5.3286(4)A

b = 7.3706(5)

c = 5.1796(3)

a/b = 0.7230

c/b = 0.7027

Volume „ 203.43 A^

Density

(calculated) 5.351 g/cm^

Polymorphism

Bertaut and Mareschal (1963) reported a hexagonal form that occurred at temperatures of

900 to 950 °C. Their powder pattern appears on PDF card 16-219.

Figure of merit

F30 = 92.6(0.010,33)

Additional patterns

PDF card 11-662 (Roth, 1957)

PDF card 28-37 (Abell et al., 1972). The

pattern appears to contain 2nd phase lines.

Geller and Wood (1956)

Keith and Roy (1954). The pattern in table

4 labeled 3Y2O3 •5AI2O3 , YCr03 type, seems to

be the phase reported here.

References

Abell, J. S., Harris, I. R. , and Cockayne, B. (1972). J. Mater. Sci. 7, 1088.

Bertaut, F. and Mareschal, J. (1963). C. R. Hebd. Seances Acad. Sci. 257, 867.

Coppens, P. and Eibschiitz, M. (1965). Acta

Crystallogr. l^, 524.

Geller, S. (1956). J. Chem. Phys . 24, 1236.

Geller, S. and Wood, E. A. (1956). Acta

Crystallogr. 9, 563.

Keith, M. L. and Roy, R. (1954). Am. Mineral.

39, 1.

Roth, R. (1957). J. Res. Natl. Bur. Stand.

58, 75.

0 CuKa^ \ = 1.540598 A; temp. 25±1 °C

TX n1,J. 1"

k> pC T*n J. 1,1. 0. 1J standard Ag, a = 4

0 0R6S1 w 0WJ J. t\A

d(A) jrel

hkS. 2e(°)

0 = ±2

4 . 233 1X A\J 1 1 90 Q7

3.711 90 J. 0 1 23.96

3.685 ID 2 0 24.13

3 317 1 Q 1 1 1 2 . 664 22 2 0 0 oo . uz

^9 • f>n u 1100 1 2 1 "XL OL

24 0 0 2 JH . DZ

2.505 11 2 1 0 35.82

2.368 IL 2 0 1 37.97

2.329 1 1 0 2 38.63

2.255 1 2 1 1 39.94

2.220M 9, 1 1 2 40.60

2.220M 0 3 1 40.60

2. 1588 23 2 2 0 41.81

2. 1192 25 0 2 2 42.63

2.0483 8 1 3 1 44.18

1.9923 2 2 2 1 45.49

1.9686 2 1 2 2 46.07

1.8565 31 2 0 2 49.03

1.8424 18 0 4 0 49.43

1.8051 9 2 3 0 50.52

1.8005 15 2 1 2 50.66

1.7055 IL 2 3 1 53.70

1.6904 1 1 3 2 54.22

1.6579 3 2 2 2 55.37

1.6505 6 1 4 1 55.64

1.6424 6 1 0 3 55.94

1.6381 17 3 1 1 56.10

1.6030 3 1 1 3 57.44

1.5286 10 3 2 1 60.52

7
Aluminum Yttrium Oxide, AIYOs - (continued)

o d(A) jrel

o = ±2

hkje 2e(°

1 . J 133 Q 9 A O 1 . lU

1 RHflAM X Duuon A 9

1 I^^^AM 1 . OUUOil J. o At 77

A Z 9 OZ . 00

1.4492 1 2 0 3 64.22

1 L'if.R -ITXlj 1X 9 OH . oH

1 A1 ft1 1 . HlOX IT nu

1X

Rft R

•3.J

-J 1X 67\J t n AR*+0

1X1X1X fiR Zi9 1.3655 IL 1 3 3 68.68

± . ^^^17 0£. A n 70 f^f\ 1 \J , DO

f.V

A 1X ft 71 QR

1 7 0 •4A 9 79 1 / ^ . xo

c n 0\J A*4 7'^ ftft 1.2901M 3 4 0 1 73.32

0 •J ft 7"^ "^9

X . ^JO XIX X

1X w

At 7"^ "il

X . O Xil 9 71 "il / ^ . J X

X • X / IT. 9 1X 7"^ 06

1.2456 IL 1 5 2 76.40

1 91x0'^ 1X X

1X A 76 7Q

X .

9 0 77 6Q

X ^^\Jvl A 1X L Q 77 R"; / / . OJ

1 9onQ O 11 o 7R OL

1.1845 1 4 0 2 81.13

1X . 1X T^lx / J*t J 9

•5 R9 06

1 . 1696 7/ 4 1X 9

1 1 66^ 1X 5 \ 82 67

1 . 1645 2 0 4 82 . 83

1.1547 4 2 5 2 83.69

X . X .J 9 1X 4 R4Ct • ORWO

Xxoy X

1 T XXj u

1X . 1X ^\I\J 900 1X

1X At

1X . it;"; X XDJ o 0 0V/ 87

1.1102M 3 2 2 4 87.87

1X . 1109M X XM^LX n 9 R7 R7

1X . 1X ORO UOVi 3 t; X RR OQ

1X . 1X\JJ\J nsfi ao

-5 Q•J RRoo "^^ . J J

1 0070 1X

1X

<; RQ07 . 90

1 07Q^i 1X A A ft Qy 1X OA

1.0671 5 4 3 2 92. hi

1.0596 4 0 4 4 93.27

1.0524 2 2 3 4 94.10

1.0439M IL 4 1 3 95.11

1.0439M 5 0 1 95.11

o d(A)

rel

a = ±2

hk£ 2e(°)

1 0335M 4 5 1 1 96.37

2 5 3 96 ^7

1 . 0278 IL 4 3 97 09

1 .0247 2 6 2 97.48

1.0170 1 1 0 5 98.48

1 .0141 4 2 3 98.86

1.0129 1 7 1 99.02

1.0067 IL 3 2 4 99.84

.9966 4 4 2 101.24

.9918 2 3 6 1 101.91

.9885 3 4 5 0 102.38

.9842 6 2 4 4 103.01

8
Aluminum Yttrium Ox ide, AI2Y4O9

Synonym

Yttrium Aluminate

Sample

The sample was made from stoichiometric

amounts of Y2O3 and AI2O3. The mixture

was heated at 1600 °C for 2 days , ground

and reheated at 1675 °C for 3-h days. After

adjusting the composition, the material was ground and heated periodically, 11 days at

1600 °C and finally in two stages at 1675 "C.

Color

Very pale yellowish white

Structure

Monoclinic, P2i/a (14), Z = 4 (Reed and Chase,

1962).

Comment

Reed and Chase (1962) report that due to the

complexity of the monoclinic calculated pattern, they found it virtually impossible to

index the powder pattern.

Lattice constants of this sample

a = 11.1156(16)A

b = 10.4689(16)

c = 7.3791(9)

P = 108.61(1)°

a/b = 1.0618

c/b = 0.7049

Volume o 813.79 A^

Density

(calculated) 4.518 g/cm^

Figure of merit

F30 = 22.9(0.015,86)

Additional patterns

PDF card 22-987 (Schneider et al. 1961)

Warshaw and Roy (1959)

Abell et al. (1974)

References

Abell, J. S., Harris, I. R. , Cockayne, B. , and

Lent, B. (1974). J. Mater. Sci. 9, 527.

Reed, J. W. and Chase, A. B. (1962). Acta

Crystallogr. 15, 812.

Schneider, S. J., Roth, R. S., and Waring,

J. L. (1961). J. Res. Natl. Bur. Stand. A65 , 345.

Warshaw, I. and Roy, R. (1959). J. Am. Ceram.

Soc. 42, 434.

CuKa^ \ = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 543088

0A

0 d(A)

rel

hkS. 2e(°) a = ±1

7.41 17 1 1 0 11.93

6.99 1 0 0 1 12.66

5 .264 3 2 0 0 16.83

5.046 1 -2 0 1 17 .56

4. 701 23 2 1 0 18.86

4.551 4 -2 1 1 19.49

4. 188 2 0 2 1 21 . 20

3.713 6 2 2 0 23 . 95

3.682 4 2 0 1 24. 15

3.494 2 0 0 2 25 .47

3 . 470M 2 2 1 1 25.65

3.470M -2 0 2 25 .65

3.330 24 3 1 0 26.75

3.017 100 -1 2 2 29 .59

2.919M 78 1 1 2 30.60

2.919M 3 2. 0 30.60

2.892 9 -2 2 z 30.90

2.615 18 0

/,lA 0 34.26

2.561 13 2 0 2 35 .01

2.538M 8 1 4 0 35.34

2.538M -1 3 2 35.34

2 .527 12 -4 0 z 35.49

2.487 5 2 1 z 36.09

2.470M 7 0 3 z 36.34

2.470M 3 2 1 36.34

2.458M 6 -2 0J z 36.53

2 . 458M -4 1 z 36.53

2.352 IL 4 2. U 38.23

2.325 2 -2 1 1 38.69

2.292 7 1 3 2 39.27

2.276+ 6 -4 2 2 39.57

2 . 276+ 0 1 3 39 . 57

2 . 256 2 -3 1 3 39 .93

2 .210 2 -2 2 3 40. 79

2. 174 2 -5 1 1 41 .51

2.133M 1 -1 t\z 42.33

2. 133M 2 4 1 42. 33

2 . 129 2 0 2 3 42.43

2.095M 2 0

14 2 43. 15

2.095M 1 1 3 43. 15

2.088M 2 -2 4 2 43.29

2 . 088M -5 1 2 43.29

2.066 18 5 1 0 43.78

2 . 053 5 1 5 0 44.07

2.047M 9 -4 3 2 44.22

2.047M -5 2 1 44.22

1.984 3 1 4 2 45.69

1.973M 2 -3 4 2 45.97

1.973M -5 2 2 45.97

1.955 1 5 2 0 46.41

9
Aluminum Yttrium Oxide, AI2Y4O9 - (continued)

0 rel

J. a = +1

IXKX ZO I.

1.946 2 2 5 0 46.64

1 Q'^QM X HO * OZ

1.939M 1 5 1 46.82

1.904 2 -4 4 1 47.74

1 . 885M 1 2 1 3 48.23

1 . 885M 4 3 1 48.23

X . 0 / 3 D

1X 1.856 4 4 4 0 49.03

1.845 19 -2 0 4 49.36

1.831M 17 5 1 1 49.75

1.831M 2 4 2 49.75

J. . 0 lOT X / 0£. JU . X J 1.818+ -4 4 2 50.15

1.7998 4 2 2 3 50.68

1.7929M 4 -2 5 2 50.89

1.7929M -6 1 2 50.89

1 77QC 1 T

XXi Q J X . 1.7562 1 6 0 0 52.03

1.7522 IL 5 2 1 52.16

1.7450 2 0 6 0 52.39

1.7410 1 0 4 3 52.52

J. . / jZHrl 0

/. ^ZS9 . Rfl o\J

1.7324M 6 1 0 52.80

1.7248M 10 1 5 2 53.05

1.7248M 0 1 4 53.05

1.7200 10 -1 2 4 53.21

1 71 ROM X \J 0 0 9R

1.7180M -3 5 2 53.28

1.6930M IL 0 6 1 54.13

1.6930M -1 6 1 54.13

1.6843M 1 3 1 3 54.43

1X . fiCA^M OOHJll JHS4 • 4^HJ 1.6643+ IL 3 4 2 55.14

1.6643+ 6 2 0 55.14

1.6588 1 0 2 4 55.34

1.6566 2 2 6 0 55.42

1.6516M 2 -5 4 2 55.60

1.6516M 1 6 1 55.60

1.6462 1 -4 2 4 55.80

1.6386 2 4 5 0 56.08

d(A) jrel

0 = ±1

hk£ 2e(°)

1.6285 4 4 3 2 56.46

1.6235 4 3 2 3 56.65

1.6133 3 -6 3 2 57.04

1 . 6046 2 -5 1 4 57.38

1 .5889 IL -2 5 3 58.00

1 .5772M 9 -1 6 2 58.47

1.5772M 2 6 1 58.47

1.5670 9 1 2 4 58.89

1 .5631M 12 0 3 4 59 .05

1 .5631M 3 6 0 59.05

1 .5607M 8 0 6 2 59 . 15

1.5607M -7 1 1 59.15

1.5512M 8 -3 5 3 59.55

1 .5512M -5 2 4 59 .55

1 .5293 2 4 5 1 60 . 49

1 .5249 2 5 2 2 60.68

1.5159 2 5 4 1 61.08

1.5110 3 -7 2 1 61.30

1 .5072 4 -2 4 4 61 .47

1 .5015 3 -6 0 4 61.73

1 .4896 2 7 1 0 62.28

1.4859+ 3 -7 1 3 62.45

1.4859+ 1 3 4 62.45

1.4812M 3 3 6 1 62.67

1 .4812M 1 7 0 62.67

1.4589 2 -2 1 5 63.74

1 . 4548 3 4 6 0 63.94

X . H joon /. H

0 71 nU

7"; 1.4386M -7 3 1 64.75

10
Aluminum Yttrium Oxide, AISY3O12

Synonyms

Yttrium aluminate

Yttrogarnet

CAS registry no. 12005-21-9

Sample

The sample was prepared at NBS. Stoichiometric amounts of the constituent oxides were blended and calcined at 1650 °C for two hours

After grinding, the resultant product was placed in an iridium crucible, fused in an induction heater and several single crystal

boules grown using the Czochralski technique.

Color

Colorless

Structure

Cubic, Ia3d (230), Z = 8. The structure was studied by Yoder and Keith (1951). It has

the garnet structure type.

Lattice constant of this sample

a = 12.0089(3)A

Volume o 1731.85 A^

Density

(calculated) 4.552 g/cm^

Polymorphism

Yoder and Keith (1951) reported that yttrogarnet inverts to a high temperature form,

yttroalumite , at 1970° ±50 °C.

Figure of merit

F30 = 91.8(0.011,30)

Additional patterns

PDF card 8-178 (Keith and Roy, 1954)

PDF card 30-51 (Abell et al., 1974)

References

Abell, J. S., Harris, I. R. , Cockayne, B.

,

and Lent, B. (1974). J. Mater. Sci. 9, 527.

Keith, M. L. and Roy, R. (1954). Am. Mineral.

39, 1.

Yoder, H. S. and Keith, M. L. (1951). Am.

Mineral. 36, 519.

0 CuKOj \ - 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5.

0 43088 A

0 d(A) T^el

I 2e(°) a = ±2

4.905 27 2 1 1 18.07

4.247 7 2 2 0 20.90

3.210 19 3 2 1 27.77

3.002 27 4 0 0 29.74

2.687 100 4 2 0 33.32

2.561 IL 3 3 2 35.01

2.452 20 4 2 2 36.62

2.355 6 4 3 1 38.18

2.192 23 5 2 1 41.15

2.122 5 4 4 0 42.56

1 .9474 26 5 3 2 46.60

1.8994 IL 6 2 0 47.85

1.8536 IL 5 4 1 49.11

1.7705 2 6 3 1 51.58

1.7330 17 4 4 4 52.78

1.6988 IL 5 4 3 53.93

1.6652 31 6 4 0 55.11

1.6338 9 7 2 1 56.26

1.6046 28 6 4 2 57.38

1.5247 4 6 5

11 60.69

1 .5006 10 8 0 0 61.77

1.4780 IL 7 4 1 62.82

1.4561 IL 8 2 0 63.88

1.4352 1 6 5 3 64.92

1.4157 1 6

/•0 0 65.93

1 . 3962 IL 7 4 3 66.97

1.3598 IL 7 5 2 69.01

1.3423 7 8 4 0 70.04

1.3102 17 8 4 2 72.02

1.2949 2

f 7 6 1 73.01

1 . 2800 6 6 6 4 74.00

1.2656 1 8 5 1 74.98

1.2388 2 9 3 2 76.90

1.2257 IL 8 4 4 77.87

1.2128 IL 9 4 1 78.86

1.2011 IL 8 6 0 79.78

1.1889 IL 10 1 1 80.77

1.1776 2 10 2 0 81.71

1.1665 IL 9 4 3 82.65

1.1451 3 10 3 1 84.55

1.1249 IL 8 7 1 86.44

1.1151 14 10 4 0 87.39

1.1056 2 9 6 1 88.33

1.0964 6 10 4 2 89.27

1.0874 IL 9 5 4 90.21

11
Aluminum Yttrium Oxide, Al5Y30i2 - (continued)

o d(A) jrel

2e(°)

1.0698 3 10 5 1 92.12

1 . UO 10 o

ooooAU

oZ Q 7/ Oz yj . y 1

1 . UZb^o 1 lU O

A

U yo . otf

1 T

1 i. 1 07 70 y / . /y

1.0150 IL 10 6 2 98.74

ITill Q O

c QQ 7

yy . /

1 nnn7 111 9 u

AV

.9939 IL 9 7 4 101.62

.9872 3 12 2 0 102.58

.9805 2 11 5 2 103.55

.9741 6 10 6 4 104.51

.9676 IL 12 3 1 105.51

12
Ammonium Cadmium Phosphate Hydrate, NH4CdP04'H20

Sample

The sample was prepared at N6S. Water

solutions of CdCl2 and (NH4)2HP04 were

mixed. NH4OH was added to the mixture

dropwise, until the pH reached 9.

Color

Colorless

Structure

Orthorhombic, Pmn2i (31), Z = 2. (Tranqui

et al. , 1968).

Lattice constants of this sample

a = 5.8173(10)A

b = 8.8797(8)

c = 5.0134(8)

a/b = 0.6551

c/b = 0.5646

Volume o 258.97

Density

(calculated) 3.122 g/cm^

Figure of merit

F30 = 98.2(0.009,34)

Additional patterns

PDF card 14-397 (Ropp et al., 1961)

Ropp and Mooney (1960)

References

Ropp, R. C. and Mooney, R. W. (1960). J. Am.

Chem. Soc. 82, 4848.

Ropp, R. C. , Mooney, R. W. , and Hoffman,

C. W. W. (1961). Anal. Chem. 33, 1687.

Tranqui, D. , Durif, A., Guitel, J. C, and

Averbuch-Pouchot, M. T. (1968). Bull. Soc.

Chim. Fr. , 1759.

0 CuKa^ K = 1.540598 A; temp

25±1 °C

Internal standard Si, a = 5 430825 A

d(A) jrel hk£ 2e(°) a = ±3

8.87 100 0 1 0 9.96

4.868 4 1 1 0 18.21

4.436 11 0 2 0 20.00

4.367 13 0 1 1 20.32

3.799 13 1 0 1 23.40

3.528 7 1 2 0 25.22

3.493 38 1 1 1 25.48

3.324 3 0 2 1 26.80

2.957 IL 0 3 0 30.20

2.908 36 2 0 0 30.72

0 d(A) T^el

I a = ±3hk£ 2e(°)

2.885 63 1 2 1 30.97

2.764 10 2 1 0 32.37

2.637 3 1 3 0 33.97

2.549 5 0 3 1 35. 18

2.506 6 0 0 2 35.80

2.433 7 2 2 0 36.92

2.420 8 2 1 1 37.12

2.413 7 0 1 2 37.24

2.334 18 1 3 3 38.54

2.2187 2 0 4 0 40.63

2. 1883 9 2 2 1 41.22

2.1822 10 0 2 2 41.34

2.0738M 8 2 3 0 43.61

2.0738M 1 4 0 43.61

2.0435 2 1 2 2 44.29

2.0300 1 0 4 1 44.60

1.9164M 13 2 3 1 47.40

1.9164M 1 4 1 47.40

1.9122 10 0 3 2 47.51

1.8991 7 2 0 2 47.86

1.8568 8 2 1 2 49.02

1.8169 3 1 3 2 50.17

1.7753 7 0 5 0 51.43

1.7456 5 2 2 2 52.37

1.6982 3 1 5 0 53.95

1 .6744M 8 3 2 1 54.78

1.6744M 0 5 1 54.78

1.6624 3 0 4 2 55.21

1.6224 2 3 3 0 56.69

1.5984M 5 2 3 2 57.62

1.5984M 1 4 2 57.62

1.5809 3 1 1 3 58.32

1.5434 3 3 3 1 59.88

1.5161 3 2 5 0 61.07

1.4802 IL 0 6 0 62.72

1 .4599 1 3 4 0 63.69

1.4508 4 2 5 1 64.14

1 . 4344 2 1 6 0 64.96

1.4193 2 0 6 1 65.74

1.4070 1 1 5 2 66.39

1 .4019 2 3 4 1 66.66

1.3789 3 1 6 1 67.92

1.3196 IL 2 6 0 71.43

1.3097 IL 3 5 0 72.05

1.2978 2 2 5 2 72.82

1.2760 2 2 6 1 74.27

13
Barium Aluminum Titanium Oxide, BaAl6TiOi2

Synonym

Barium aluminum titanate

CAS registry no. 58834-02-9

Sample

The sample was synthesized by melting, then

very slowly cooling, stoichiometric amounts

of BaTiOs, AI2O3, and Ti02 . After heating at

1275 °C for 16.5 days, the sample was reheated

at 1350 °C for 23 days. The material was ground every 24 hours.

Color

Colorless

Structure

Ortho rhombic, Pn*n, Z = 2. The structure

studied by Roth et al. (1981) was based on single crystal precession data.

Lattice constants of this sample

a = 7.1375(3) A

b = 13.5978(8)

c = 4.8651(2)

a/b = 0.5249

c/b = 0.3578

Volume o 472.18 a3

Density

(calculated) 3.792 g/cm^

Figure of merit

F30 = 152.7(0.006,36)

Additional pattern

PDF card 29-147 (Guha et al., 1976)

References

Guha, J. P., Kolar, D. , and Volavsek, B. (1976). J. Solid State Chem. 16, 49.

Roth, R. S., Parker , H. S - . and Koob, M. M. (1981). 12th Intl. Congress of Cryst.

Ottawa

,

C-167.

CuKa k = 1.540598 A; temp25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel hk£ 2e(°) a = ±2

6.799 22 0 2 0 13.01

6.316 2 1 1 0 14.01

4.581 15 0 1 1 19.36

4.021 2 1 0 1 22.09

3.828 15 1 3 0 23.22

3.570 9 2 0 0 24.92

3.462 82 1 2 1 25.71

3.401 4 0 4 0 26.18

3.318 51 0 3 1 26.85

3.161 100 2 2 0 28.21

d(A)

jrel

0 = ±2

hkA 2e(«')

2.8152 50 2 1 1 31.76

2.6506 2 2 2 1 33. 79

2.5954 80 1 4 1 34.53

2.5412 17 1 5 0 35.29

2.4610 3 2 4 0 36.48

2.4333 24 0 0 2 36.91

2.3738 2 0 5 1 37 .87

2 . 3440 11 3 1 0 38 . 37

2.3025 8 1 0 2 39 . 09

2.2901 6 0 2 2 39.31

2.2702 22 1 1 2 39.67

2 . 2663 22 0 6 0 39 . 74

2.2527 17 1 5 1 39.99

2. 1965 10 2 4 1 41 .06

2 . 1373 11 3 0 1 42.25

2.1064 8 3 3 0 42.90

2 . 0532 5 1 3 2 44.07

2 . 0391 6 3 2 1 44. 39

2 .0103 12 2 0 2 45 . 06

1 . 9886 6 2 1 2 45 .58

1.9763 24 2 5 1 45.88

1 . 9743 24 1 6 1 45.93

1 . 9275 33 2 2 2 47 . 11

1 . 8748 5 1 7 0 48.52

1 . 8095 39 3 4 1 50.39

1.7906 6 3 5 0 50.96

1 . 7844 9 4 0 0 51 . 15

1 ^ n no 1 . 779o 7 2 0 1 51 . 29

1 . 7569 11 1 5 2 CO A52 . 01

1 . 7300 4 2 4 2 52 . 88

1.7258 4 4 2 0 53.02

1 .6996 2 0 8 0 53.90

1 . 6875 1 3 1 2 54. 32

1 . 6627 5 4 1 1 55.20

1 . 6579 11 0 6 2 55.37

1.6267 1 4 2 1 56.53

1 .6154 1 1 6 2 56.96

1 .6100M 3 0 1 3 57 . 17

1 .6100M 2 7 1 57 . 17

1 .5924 11 3 3 2

C "7 0£ 57.86

1.5799 2 4 4 0 58.36

1 .5716M 6 1 1 3 58.70

1.5716M 4 3 1 58 . 70

1 .5655 6 1 8 1 58 . 95

1 .5550 24 3 6 1 59 . 39

1.5404 7 1 2 3 60.01

i.\J 2 8 0 60 . 26

1.5268 6 0 3 3 60.60

1.5046M 2 3 7 0 61.59

1.5046M 2 6 2 61.59
Barium Aluminum Titanium Oxide, BaAleT10i2 ~ (continued)

o ^rel

a = ±2

xxm& hIrO

1.5028 1 4 4 1 61.67

Cm 11 71 Zm9 1.4678 5 2 1 3 63.31

1.4428+ 6 0 9 1 64.54

1.4428+ 2 2 3 64.54

1.4388 15 4 0 2 64.74

1HJJ

1

J. A a QO \j\J I

4260 8 4 5 1 65.39

1.4195 2 5 1 0 65.73

1.4077 4 4 2 2 66.35

1.4040 4 2 3 3 66.55

A AH oo . oo 1.3929M 4 0 8 2 67.15

1.3929M 0 5 3 67.15

1.3711 2 4 3 2 68.36

1.3696 2 5 0 1 68.45

-J

. u X 1.3598M 0 10 0 69.01

1.3428 7 5 2 1 70.01

1.3252 2 4 4 2 71.08

1.3146 3 3 2 3 71.74

II I £.y 9Q7RM 1 on 1xoft 9 DO 9 79 ft9 1.2978M 2 5 3 72.82

1.2880 2 1 10 1 73.46

1.2797 3 3 7 2 74.02

1.2754 3 3 9 0 74.31

1 97nfiM q 0 inxu 0 74 64

1.2706M 5 4 1 74.64

1.2639 2 5 5 0 75.10

1.2466 3 3 4 3 76.33

1.2307M 1 5 0 2 77.50

1 9'^n7M AH

QO nV

1.2235 2 5 5 1 78.04

1.2162 3 0 0 4 78.60

1.2148 4 4 6 2 78.71

< 1.2079 IL 2 9 2 79.24

1X . 1QQ1 X77 X ITXXj 1X AH 7q qA

1.1956 2 4 1 3 80.22

1.1942 IL 1 1 4 80.34

1.1896 3 6 0 0 80.71

1 . 1869 3 0 10 2 80.93

D 1

ft9 . 17X / 1.1721M 6 2 0 82.17

1.1602 3 4 3 3 83.20

1.1576M 2 1 8 3 83.43

1 . 1576M 5 4 2 83.43

1 . IjOO a (. a ft^ oo .oxfti 1.1514M 3 6 1 1 83.98

1.1514M 2 0 4 83.98

1.1473M 2 3 10 1 84.35

1.1473M 2 1 4 84.35

15
Barium Aluminum Titanium Oxide, Ba3AlioTi02o

Synonym

Barium aluminum titanate

CAS registry no. 58834-01-8

Sample

The sample was synthesized by melting together,

then very slowly cooling stoichiometric amounts

of BaTiOg, AI2O3, and Ti02 . The sample was heated at 1000 °C for 20 hours, then at 1275 °C

for 14 days and finally at 1350 °C for 23 days.

The material was ground after each 24 hour

period.

Color

Colorless

Structure

Monoclinic, I*/*, Z = 2. The structure

studied by Roth et al. (1981) was based

on single crystal precession data.

Lattice constants of this sample

a = 14.8884(12)A

b = 11.3676(13)

c = 4.9781(5)

p = 90.84(1)°

a/b = 1.3097

c/b = 0.4379

Volume o 842.43 A^

Density

(calculated) 4.138 g/cm^

Figure of merit

F30 = 53.24(0.010,55)

Additional pattern

PDF card 29-148 (Guha et al., 1976)

References

Guha, J. P., Kolar, D. , and Volavsek, B. (1976). J. Solid State Chem. 16, 49.

Roth, R. S., Parker, H. S., and Koob,

M. M. (1981). 12th Intl. Congress of

Cryst. Ottawa, C-167.

0

CuKfflj A := 1.540598 A; temp

25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel hk£ 2e(°)

0 = ±3

5.683 23 0 2 0 15.58

4.741 2 -1 0 1 18.70

4.560 34 0 1 1 19.45

3.912 1 -2 1 1 22.71

3.869 1 2 1 1 22.97

16

0 d(A)

^rel

1 a = ±3

bkx 2e('')

3 . 723 5 0 0 23 . 88

3.673 5 1 3 0 24.21

3.642 5 -1 2 1 24.42

3.541 6 -3 0 1 25.13

3.490 8 3 0 1 25.50

3. 113 5 / Z 0 ziS . bo

3.015M 100 0 3 1 29.61

3.015M 3 3 0 29.61

2.974 38 3 2 1 30.02

2.903 30 -4 1 1 30.77

2 . 882 14 5 1 0 31 . 01

2.865 28 4 1 1 31.19

2.842 8 0 4 0 31.45

2.805 22 -2 3 1 31.88

2.787 9 2 3 1 32.09

0 c "7 0 f\z -5 A 1 0 1 0 /. oz 2.538 IL 5 0 1 35.33

2.489 25 0 0 2 36.05

2.432 7 1 4 1 36.93

2.404 8 -1 1 2 37.37

z . jDzrl 1 / -4 3 1 38 . 24

2.352M 2 0 2 38.24

2.334 IL 4 3 1 38.55

2.280 9 0 2 2 39.49

2.259 7 4 4 0 39.88

z . z04 zU 3 4 1 /A A 1 40 . 91

2.1707M 7 1 2 2 41.57

2.1707M 3 1 2 41.57

2.0906 20 7 1 0 43.24

2.0824 11 -4 0 2 43.42

Z . UO /DSi 0 5 1 43 . 75

2.0675M 3 5 0 43.75

1.9948 2 -2 5 1 45.43

1.9903 3 2 5 1 45.54

1.9670 8 -7 0 1 46.11

1 . 9562 13 -4 z z

/ z 00

1.9455 4 7 0 1 46.65

1.9326 8 4 2 2 46.98

1.9271 7 -3 3 2 47.12

1.9100 7 3 3 2 47.57

1 on/ OM 1 . 894zM 12 0

Z A D 0 47 . 99

1.8942M 5 4 1 47.99

1.8719 6 0 4 2 48.60

1.8697M 5 5 1 2 48.66

1.8697M 6 4 0 48.66

1 . 8600 8

00A A 0 0 AO AO

1.8572 7 -7 2 1 49.01

1.8547 8 7 3 0 49.08

1.8403 7 7 2 1 49.49

1.8125 10 -4 5 1 50.30

1.8031 3 4 5 1 50.58

1.7692M 1 -6 0 2 51.62

1.7692M 8 2 0 51.62

1.7591 IL -1 6 1 51.94

1.7444 3 6 0 2 52.41
Barium Aluminum Titanium Oxide, Ba3AlioTi02o " (continued)

o CH.AJ rel

a = ±3

ZDl )

1 T>f\Q 1 . / juy 1 ~o 1 1 3Z . iSo 1.6950 IL 5 3 2 54.06

1.6881 5 4 6 0 54.30

1.6798 5 -4 4 2 54.59

1.6702M 5 -3 o 1 54.93

1 . 0 /UZfl ~ 1 5 2

1.6652M 6 4 4 2 55.11

1.6652M 3 6 1 55.11

1.6416 2 0 1 3 55.97

1.6367 2 9 1 0 56.15

1 . olo

/

- /

/ 1 01 30 . y 1 1.6051 16 7 4

11 57.36

1.5949 5 -3 5 2 57.76

1.5894M 8 -8 3 1 57.98

1.5894M 7 1 2. 57.98

" 1 00 00 . i** 1.5854M 3 5 z 58.14

1.5807M 3 1 2 3 58.33

1.5807M -3 0 3 58.33

1.5665 2 3 0 58.91

11 .03JJ. / c0 u 1.5436M 3 0 / 1 59.87

1.5436M 3 7 0 59.87

1.5225 3 -3 2 3 60.79

1.5193+ 8 0 60.93

1 . J ly jT 1 ou . y 0

1.5101+ 11 2 / 1 61.34

1.5101+ -4 1 3 61.34

1.5070M 11 0 6 2 61.48

1.5070M 9 2. 1 61.48

1 . DUUO C -ft u 2. 01.//

1.4965 5 -7 0 z 61.96

1.4935M 8 4 1 3 62.10

1.4935M -2 3 3 62.10

1 . 4800M 5 -2 D 2. 62.73

1 /, onnvr QO

A

2 7Q OZ . / J 1.4783 5 7 3 2 62.81

1.4514 1 -8 2 2 64.11

1.4402M 2 5 0 3 64.67

1.4402M 10 2

A 64.67

QO 7 1

Ai; Oft OD . Zo

1.4282M -1 /. J 65.28

1 . 4245M 9 1 4 3 65.47

1 . 4245M 4 7 1 65.47

1 . 4206M 9 0

00 0 65.67

1 . Hzuon —" 1 AlU 1 1

(-^ ^7

1.4096 2 10 1 1 66.25

1.4015 2 -4 0 2 66.68

1.3931 1 4 6 2 67.14

1.3770 IL -9 1 2 68.03

1.3720 2 3 4 3 68.31

1.3641 2 -7 6 1 68.76

1 . 3608 1 -1 8 1 68.95

17
Barium Bon'de, BaBe

Synonym

Barium hexaboride

Sample

The sample was obtained from Alfa Products,

Thiofcol/Ventron Division, Danvers, MA.

Color

Very dark gray

Structure

Cubic, Pm3m (221), Z = 1, isostructural with

CaBg. The structure was determined by

Stackelberg and Neumann (1932). Keissling

(1950) and Bertaut and Blum (1954) studied

the hexaborides.

Lattice constant of this sample

a = 4.2624(1)A

Volume o 77.44 A3

Density

(calculated) 4.336 g/cm^

Figure of merit

F24 = 106.1(0.009,24)

Additional pattern

PDF card 11-213 (Amendola, Polytechnic Inst,

of Brooklyn, N.Y. , 1959)

References

Bertaut, F. and Blum, P. (1954). Acta

Crystallogr. 7, 81.

Kiessling, R. (1950). Acta. Chem. Scand.

4, 209.

Stackelberg, M. V. and Neumann, F. (1932).

Z. Phys. Chem. B, 19, 314.

0 CuKOj A. = 1.540598 A; temp. 25±1 "C

Internal standard Si, a = 5.

0 430825 A

W, a

0

0 rel hk£ a = ±3

1 0 0 . 00

3.014 100 1 1 0 29.62

2.462 45 1 1 1 36.47

2.1311 21 2 0 0 42.38

1.9069 48 2 1 0 47.65

24 2 1 1 1.5072 9 2 2 0 61.47

1.4206 25 3 0 0 65.67

1 . 3480 20 3 1 0 69.70

1.2850 11 3 1 1 73.66

1 . 2304 2 2 2 2 77 S2

1.1822 7 3 2 0 81.32

1.1393 13 3 2 1 85.08

1.0657 2

/. 0 0 92.57

1.0338 10 /. 1 0 96.34

1 0047 q 3 3 0 1 nn 19

.9780 3 3 3 1 103.93

.9532 5 4 2 0 107.82

.9301 12 4 2 1 111.83

.9088 4 3 3 2 115.91

.8701 2 4 2 2 124.58

. 8524 3 5 0 0 ion 00 129 . 28

.8359 13 5 1 0 134.31

.8203 6 5 1 1 139.79

18
Barium Neodymium Titanium Oxide, BaNd2Ti50i4

Synonym

Barium neodymium titanate

Sample

The sample was prepared at N6S from a mixture

of BaO, Nd203, and Ti02 (rutile). The mixture

was heated at 1250 °C for 1 day. After being

ground, the sample was heated further at 1350 "C

for 4 days, ground, and heated at 1365 °C for

6 days

Two known phases, rutile and Ba2Ti902o> were present as impurities. Corrections were made

for the overlap of intensities.

Color

Colorless

Structure

Orthorhombic, Pbam (55) or Pba2 (32). The

space group symmetry was determined from a single crystal by Kolar et al. (1981). Z = 4 is

consistent with the density of 5.44, measured

by Kolar et al. (1981).

Lattice constants of this sample

a = 12.1983(13)A

b = 22.347(3)

c = 3.8403(6)

a/b = 0.5459

c/b = 0.1718

Volume o 1046.8 A^

Density

(calculated) 5.643 g/cm^

(measured) 5.44 g/cm^ (Kolar et al., 1981)

Figure of merit

F30 = 50.1(0.012,50)

Additional pattern

Kolar et al. (1981)

Reference

Kolar, D., GaberXcek, S., Volavsek, B.

,

Parker, H. S . , and Roth, R. S. (1981). J. Solid State Chem. 2, 89.

CuKOj \ = 1.540598

0A; temp

25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel

hkS. 2e('')

0 = ±4

11.20 12 0 2 0 7.89

10.73 5 1 1 0 8.23

8.25 IL 1 2 0 10.71

6.36 3 1 3 0 13.91

6.10 1 2 0 0 14.51

19

0 d(A) jrei

a = ±4

hk£ 2e(°)

D . Joy z z 0 lo . 3 J

C A0

1

/. AU 1 / . z

0J AU

1 Q TO lo . /y

4.197 12 1 5 0 21.15

4.003 7 3 1 0 22.19

15 A AU 1 ZJ . 1

1

J z A z J . zo 3.0i5 /.H

A

0 z

11 OA AT 3.607 4 2 5 0 24.66

3.565M 1 3 3 0 24.96

0 . DOOfl 1

/:D A

u zh. yo

0 /.ft/. 1 0Z 1 zo . DO

J . Z3U z Au 1 Z / . 4Z

3.214 6 2 1 1 27.73

3.179 16 2 6 0 28.05

0 fsQQ xz 1 / A ZO . 00

0 . UOJ 1

/,H 1 OA 1 0 zy . 1

z . y<5i) 1iz z

0J 1 OA nzl zy . 9o

2.942 20 4 2 0 30.36

2.832 100 1 5 1 31.57

Z . OZO z 7 A 31 . o3

0 ? 7 1

£. , / / i Zo i

11 JZ . Zo

Z . /Uo i;.Q JO J Z X 2.676M 13 4 4 0 33.46

2.676M 0 6 1 33.46

Z . OZO lo z

cD 1 0 A AA J** . oy

z . 0 1 jn Z / J J 1 OA OQ jh . zy

z . D 1 jn 1 0 1 OA OQ OH . zy

2.540 4 2 8 0 35.31

2.518 3 4 5 0 35.63

z . 'y / 0 J 1 OC QO

0 00/. 1 c5 zA00 T T 1 37.71

11 1 0 "7 OA 37 . OH

2.336 6 4 2 1 38.51

2.300 8 2 9 0 39.14

z . z7on ZD z 7 1 OA C ^ 39 . DO

z . z7on /. J

11 OA C ^ 39 . 5o

z . z5o 11 A0

00

11 OA A A 39 . 90

2.221 4 1 8 1 40.59

2.195 11 4 4 1 41.08

z . 14z 0 5

c5A0 AO 1 C HZ . 15

Z . 1 loFl 10 0J

0

y A AOHZ . 05

z .Ion 0z

00

11 AOhZ . o5

2.098 18 2 10 0 43.08

2.033 IL 6 0 0 44.53

2.003 8 1 11 0 45.24

1.999 7 6 2 0 45.32

1.9730 3 2 9 1 45.96

1 . 9605 9 6 3 0 46.27

1.9380 8 5 7 0 46.84
Barium Neodymium Titani

d(A) a = ±4hk£ 2e(°)

1.9195 40 0 0 2 47.32

1.9103 16 6 4 0 47.56

1.8701M 4 5 5 1 48.65

1 . o / u in 1 Z

OZ Aft 1.8501 5 6 5 0 49.21

1.8410M 2 2 10 1 49.47

1.8410M 1 12 0 49.47

1.8309 IL 2 0 2 49.76

1 ftl 79 O O 1 1 X 1 u DU . lO

1.7965M 5 6 0 1 50.78

1.7965M 1 4 2 50.78

1.7750 14 6 2 1 51.44

1.7463M 5 6 3 1 52.35

11 . 7Afi'^M / HOjCi 11 CJ

o Dz . OD

1.7306M 17 3 1 2 52.86

1.7306M 5 7 1 52.86

1.7215+ 9 7 2 0 53.16

1.7215+ 4 9 1 53.16

1 7167 7 <j 0£. 9 ^ J > oz 1.7108 IL 6 4 1 53.52

1.6959M 2 7 3 0 54.03

1.6959M 2 5 2 54.03

1.6758 6 0 12 1 54.73

1X 1x^0 1X 1.6437+ 5 6 8 0 55.89

1.6437+ 2 6 2 55.89

1.6309M 2 4 10 1 56.37

1 . 6309M 1 7 2 56.37

•5 o JO . Dj

1.6240M 7 5 0 56.63

1.6079 6 4 2 2 57.25

1.5874 30 4 3 2 58.06

1.5841M 33 5 9 1 58.19

O u JO . 1 J 1.5706 11 7 2 1 58.74

1.5602M 4 5 11 0 59.17

1.5602M 4 4 2 59.17

1.5564 5 1 13 1 59.33

1.5526 4 7 3 1 59.49

1.5316 1 2 8 2 60.39

1.5279 1 4 5 2 60.55

1.5249M IL 3 7 2 60.68

1.5249M 8 0 0 60.68

1.5039 IL 6 10 0 61.62

1.4937 1 8 3 0 62.09

Oxide, BaNd2Ti50i4 - (continued)

d(A)

j.rel

a = ±4

2e(°)

1 . 4859 3 3 14 0 62.45

1.4741+ 3 0 14 1 63.01

1 . 't/'»l + Z 9 2 63 . 01

1.4686 3 4 12 1 63.27

1.4559+ 1 0 10 2 63.89

1.4559+ 6 9 1 63.89

1.4429 IL 8 5 0 64.53

1 A O Q O 1 5 5 Z o5 . 22

1.4235 1 3 9 2 65.52

1.3962M 2 0 16 0 66.97

1.3962M 6 0 2 66.97

1.3856M 8 3 14 1 67.55

1.3856M 6 2 2 67.55

1.3761 4 8 7 0 68.08

1.3722 6 6 3 2 68.30

1.3640 4 5 7 2 68.77

20
Barium Tungsten Oxide, BagWOe

Synonyms

Barium timgstate

Tribarium timgstate

Sample

The sample was prepared at NBS by T. Negas

from spectrographic grade BaCOs and WO3

(73:27 mol ratio). It was heated in a Au

crucible in air at 950 °C for 48 hours.

This sample is approximately 2 mol % richer

in WO3 than the true 3 : 1 oxide

Color

Colorless

Structure

Cubic, rm3m (225), Z = 32. Negas (private

communication, 1982).

Lattice constants of this sample

a = 17.1765(5)A

Comment

There are 4 lines with I ^^-j^ a 1 that do not

index satisfactorily on this unit cell.

Several unit cells have been reported in the

literature for BagWOe; Kreidler (1972), Kovba

et al. (1971), and Steward and Rooksby (1951).

None of the unit cell values reported by these

authors will adequately index their data.

Some of these patterns appear to be mixed with

the off stoichiometric phase reported here.

Structural data for the true 3:1 oxide have

not been published.

Volume (, 5067.6 A^

Density

(calculated) 7.254 g/cm^ (based on 3:1 ratio)

Figure of merit

F30 = 68.2(0.012,38)

Additional patterns

PDF card 25-82 (Kreidler, 1972)

PDF card 26-195 (Kovba et al., 1971)

Chang et al. , (1966)

References

Chang, L. L. Y. , Scroger, M. G. , and Phillips,

B. (1966). J. Am. Ceram. Soc. 49, No. 7.

Kovba, L. M. , Lykova, L. N. , and Shevchenko,

N. N. (1971). Russ. J. Inorg. Chem. 16,

1150.

Kreidler, E. (1972). J. Am. Chem. Soc. 55,

No. 10.

Steward, E. G. and Rooksby, H. P. (1951).

Acta Crystallogr. 4, 503.

0 CuKOf

J A — 1 . OM^Ooyo A; temp

25X1 or*

Internal standard Si. a = 5. 40388

0A

0 dfA) jrel hk£

a = ±2

9 .89 2 1 1 1 8 . 93

6.075 2 2 2 0 14.57

4.962 9 2 2 2 17.86

4.296 5 4 0 0 20.66

3.942 3 3 3 1 22.54

3.509 5 4 2 2 25 . 36

3.307 25 5 1 1 26.94

3.036 100 4 4 0 29.40

2.905 1 5 3 1 30.75

2.863 3 6 0 0 31.22

2 . 716 1 6 2 0 32.95

2.620 2 5 3 3 34.20

2.590 8 6 2 2 34.60

2.405 3 5 5 1 37.36

2.236 14 7 3 1 40.30

2. 146 17 8 0 0 42.07

2.084 IL 6 4 4 43.39

2.024 3 6 6 0 44.73

1.9841 5 7 5 1 45.69

1.9694 5 6 6 2 46.05

1 . 9206 4 8 4 0 47.29

1.8850 1 7 5 3 48.24

1.8737 2 8 4 2 48.55

1.8306 IL 6 6 4 49.77

1.8005 4 9 3 1 50.66

1 . 7522 21 8 4 4 52. 16

1.7261 1 7 7 1 53.01

1.6840 2 10 2 0 54.44

1.6602 9 9 5 1 55.29

1 . 6522 6 10 2 2 55.58

1 .6018 1 9 5 3 57 .49

1.5949 IL 10 4 0 57.76

1.5486 IL 7 7 5 59.66

1.5179 7 8 8 0 60.99

1.5009 1 9 5 5 61.76

1 . 4952 IL 10 4 4 62.02

1.4567 3 9 7 3 63.85

1.4516 7 10 2 64.10

1.4313 2 12 0 0 65.12

1.4166 1 11 5 1 65.88

1.3934 3 10 6 4 67.12

1.3797 IL 11 5 3 67.88

/ y 9 1 oy . OH

1.3415 IL 10 8 0 70.09

1.3134 2 13 1 1 71.82

21
Barium Tungsten Oxide, BagWOe - (continued)

o d(A) ,rel

I a = ±2

hk£ 2e(°)

1 .3097 2 10 6 6 72.05

1 .2840 1 13 3 1 73.73

1 .2665 1 12 2

1 .2564 2 13 ^.J / J . Do

1 .2397 2 8 8 8 7(=> R'^ - / Vi . o J

1 .2301 1 13 5 1 77.54

1 .2145 IL 10 10 0 78.73

1 2055 1 13 5 3 7Q it'i 1 2024 4 10 10 2 70/ . DO

1 1908 1 12 8 0\j oU . Dl

1 1826 2 11 9 3 81.29

1 1797 1 14 4 0 81.53

1. 1687 1 14 2 R9 AA

1. 1607 1 13 7 1± RT 1

0 J , ID

1. 1476 3 12 8 4 84.32

1. 1401 2 15 1 1 85.01

1. 1277 1 14 6 0 86.17

1. 1181 4 14 6 2 87.09

22
Beryl 1

CAS registry no. 506-66-1

Sample

The compound was obtained from Alfa Products

,

Thiokol/Ventron Division, Beverly, MA.

Color

Grayish yellow brown

Structure

Cubic, Fm3m (225), Z = 4. The structure was determined qualitatively by Stachelberg and

Quantran (1934).

Lattice constant of this sample

a = 4.3422(1) A

Volume o 81.872 A^

Carbide, BesC

o CuKOj A = 1.540598 A; temp. 25±1 °C

X 11 UC L Ua X W a = 3.

o

O _rel hk£ ZD I. ) a = ±2

1 nn 1J. 1 1 JO . 70/ 7 2.1712 IL 2 0 0 41.56

1.5355 75 2 2 0 60.22

1.3092 12 3 1 1 72.08

1.2537 IL 2 2 2 75.82

1.0856 10 4 0 0 90.40

.9961 6 3 3 1 101.30

.9709 IL 4 2 0 105.00

.8864 31 4 2 2 120.69

.8356 7 5 1 1 134.39

Density

(calculated) 2.437 g/cm^

Figure of merit

Fio = 152.3(0.007,10)

Additional pattern

PDF card 9-196 (Staritzky, 1956)

References

Stachelberg, M. v. and Quantran, F. (1934).

Z. Phys. Chem. Leipzig B27, 50.

Staritzky, E. (1956). Anal. Chem. 28, 915.

23
Cadmium Iodide, cc-Cdl2

CAS registry no. 7790-80-9

Sample

The sample was obtained from J. T. Baker

Chemical Co., Phillipsburg, N.J.

Color

Colorless

Structure

Hexagonal, P63mc (186), Z = 2. The structure

was qualitatively done by Mitchell (1965). This

is the 4H polytype encountered most frequently.

Lattice constants of this sample

a = 4.2481(3)A

c = 13.7265(8)

c/a = 3.2312

Volume o 214.53 A3

Density

(calculated) 5.669 g/cm^

Polymorphism

Mitchell (1965) reports the existence of 32

polytypes. Structural data have been reported

for 10 polytypes from 2H to 14H where the

number indicates the number of iodine layers

within the repeat distance above the c axis.

Figure of merit

F30 = 26.2(0.012,92)

Additional patterns

PDF card 3-470 (Dow Chemical Co., Midland, MI)

PDF card 12-573 (Institute of Physics, University College, Cardiff, Wales, 1962)

Reference

Mitchell, R. S. (1965). Z. Kristallogr.

Kristallgeometrie Kristallphys . Kristallchem.

108 . 296.

o CuKa^ \ = 1.540598 A- temp. 25±1 'C

TnternastAndard W a == 3.

o 16524 A

o d(A) jreil

hk£ 2e(«») a = ±3

6.87 100 0 0 2 12.88

3.433 40 0 0 4 25.93

3.245 38 1 0 2 27.46

2.868 16 1 0 3 31 . 16

2.287 7 0 0 6 39.36

2.201 7 1 0 5 40.97

2. 124 91 1 1 0 42.52

2.030 16 1 1 2 44.61

1 . 9435 3 1 0 6 46.70

1.8061 15 1 1 4 50.49

1.7779 8 2 0 2 51.35

1.7159 19 0 0 8 53.35

1 .5564 3 1 1 6 59 33

1.3725 2 0 0 10 68.28

1.3622 5 2 1 2 68.87

1 . 3347 20 1 1 8 70 SO

1.2859 IL 1 0 10 73.60

1 .2263 6 3 0 0 77.83

1 . 1820 2 1 0 11 81.34

1.1530 2 1 1 10 83.84

1.1441 IL 0 0 12 84.64

1 .0621 3 2 2 0 92.98

1 .0146 1 2 2 4 98.79

1.0070 3 1 1 12 99 .80

.9977 4 3 0 8 101.08

.9806 IL 0 0 14 103.54

.9780 IL 3 1 4 103.93

.9474 IL 1 0 14 108.79

.9030 2 2 2 8 117.09

.8578 IL 0 0 16 127.79

24
Calcium Aluminum Oxide Hydrate, Ca4Al60i3-3H20

Synonym

Tetracalcium trialuminate trihydrate

CAS registry no. 12355-68-9

Sample

The sample was made by J. Waring by hydrothermal reaction in an autoclave at 375 °C

for 4 days. It had a few percent of impurity;

therefore, the intensities may be slightly in error.

Color

Colorless

Structure

Orthorhombic, Ab2a (41), Z = 4. (Percival and

Taylor, 1961).

Lattice constants of this sample

a = 12.422(3)A

b = 12.803(3)

c = 8.862(2)

a/b = 0.9702

c/b = 0.6922

Volume o 1409.45 A^

Density

(calculated) 2.753 g/cm^

Figure of merit

F30 = 52.8(0.014,41)

Additional patterns

PDF card 14-464 (Pistorius, 1962)

PDF card 16-49 (Percival and Taylor, 1961)

PDF card 24-178 (Ponomarer et al., 1970)

Johnson and Thorvaldson, (1943)

References

Johnson, H. and Thorvaldson, T. (1943). Can.

J. Res. B21, 236.

Percival, A. and Taylor, H. F. W. (1961).

Acta Crystallogr. 14, 324.

Pistorius, C. W. F. T. (1962). Amer. J. Sci.

260 , 221.

Ponomarer, V. I., Litvin, B. N. , and Belov,

N. V. (1970). Inorg. Mater. Engl. Transl.

6, 1459.

0 CuKa^ k = 1.540598 A; temp

25±1 °C

Internal standard Si, a = 5.

0 43088 A

0 d(A) _rel

I u ir n

D.KX, 20(°

0 = ±4

4.432 5 0 0 2 20.02

3.639 38 0 2 2 24.44

3.602M 100 2 0 2 24.70

3.602M 3 1 1 24.70

3.493 17 1 z z 25.48

3.270 86 2 3 1 27.25

3.199 2 0 4 0 27.87

3.141 14 2 2 2 28.39

3.103 1 4 0 0 28.75

3.028 44 3 u z 29.48

2.846 46 2 4 0 31 .41

2.820 72 3 3 1 31.70

2.805 83 1 1 3 31.88

2.797 81 4 2 0 31.97

2.734 4 3 z z 32.73

2.612 21 2 1 3 34.31

2.594 13 0 4 2 34.55

2.541M 31 4 0 2 35.29

2.541M 1 4 2 35.29

2.416 15 4 1 37. 18

2.392 11 2 4 2 37.57

2.383 11 1 3 3 37.72

2.364 8 4 2 2 38.04

2.351 8 5 1 1 38.25

2.287 38 2 5 1 39.36

2.261 2 2 3 3 39.83

2.229 33 4 4 0 40.44

2.216 9 0 0 4 40.69

2. 199 1 3 4 2 41.02

2. 181 7 1 0 41.36

2. 167 14 5 0 2 41.64

2.133 5 0 6 0 42.33

2.115 2 3 5 1 42.72

2.094M 38 3 3 3 43.17

2.094M 0 2 4 43.17

2.087M 44. 5 3 1 43.32

2.087M 2 0 4 43.32

2.069 16 6 0 0 43.71

2.065 17 1 2 4 43.80

2.019 IL 2 6 0 44.85

1.985 4 2 2 4 45.67

1.970 3 6 2 0 46.03

1.928 6 4 5 1 47.11

1.913M 11 4 3 3 47.49

1.913M 1 5 3 47.49

25
Calcium Aluminum Oxide Hydrate, Ca4A1gOi3*3H20 - (continued)

d(A) a = +4hk£ 2e(»)

1.875 1 6 0 2 48.51

1.8368 5 2 6 2 49.59

1.8237 1 6 3 1 49.97

1 . 8005 9 5 4 2 50.66

1.7737 2 1 7 1 51.48

1 . 7435 8 3 6 2 52.44

1.7395M 11 6 4 0 52.57

1.7395M 1 1 5 52.57

1.7245 2 7 1 1 53.06

26
Calcium Aluminum Silicate Hydrate, Chabaz ite, Ca2Al4Si8024'12H20

Synonym

Calcium aluminosilicate hexahydrate

CAS registry no. 12251-32-0

Sample

The sample, a natural mineral, from Wasson's

Bluff, Nova Scotia, Canada, was obtained from

F. G. Gardinier.

Chemical Analysis (wt. %)

Ca 6.12%, Al 9.67%, Si 22.17%, Na 0.55%,

K 0.86%, Sr 0.10%, Fe 0.043%, HgO 22.48%

Color

Colorless to salmon pink

Structure

Rhombohedral , R3m (166) (Calligaris et al.,

1982) . Single crystal studies (Himes and

Mighell, 1981) were carried out on a clear

single crystal selected from the sample.

A primitive cell was determined with^

lattice parameters: a = 9.3799(14)A,

b = 9.3926(14), c = 3918(14), a = 94.263(12)°,

p = 94.408(12), Y

= 94.469(12). This cell

differs only slightly from the reduced form

of the hexagonal cell given below.

Lattice constants of this sample

Hexagonal axes

a = 13.784(2)A

c = 14.993(3)

c/a = 1.0877

Z =3

Volume o 2467.0 A^

Density

(calculated) 2.045 g/cm^

(observed) 2.05(2) (Himes and Mighell,

1981)

Figure of merit

F30 = 65.0(0.012,38)

Additional pattern

PDF card 19-208 (Gude and Sheppard, 1966)

References

Calligaris, M. , Nardin, G. , Randaccio, L.

,

and Chiaramonti, P. C. (1982). Acta

Crystallogr. B38, 602.

Gude, A. J. and Sheppard, R. A. (1966).

Amer. Mineral. 51, 909.

Himes, V. and Mighell, A. (1981). Private

communication

CuKa A. = 1.540598 A; temp. 25±1 °C

' o Internal standard Si, a = 5 43088 A

d(A) jrel hk£ 2e(° a = ±3

9.34 54 1 0 1 9.46

6.89 13 1 1 0 12.83

6.36 7 0 1 2 13.92

5 .552 26 0 2 1 15 .95

5.001 29 0 0 3 17.72

4.667 6 2 0 2 19.00

4.323 100 2 1 1 20.53

4.053 2 1 1 3 21.91

3.978 4 3 0 0 22.33

3.865 21 1 2 2 22.99

3.576 42 1 0 4 24.88

3.446 19 2 2 0 25.83

3.236 5 1 3 1 27.54

3. 176 11 0 2 4 28.07

2.927 93 4 0 1 30.52

2.908 21 0 1 5 30.72

2.882 45 2 1 4 31.01

2.838 6 2 2 3 31.50

2.775 4 0 4 2 32.23

2.693 4 3 2 1 33.24

2.678 9 2 0 5 33.43

2.606 20 4 1 0 34.39

2.572 4 2 3 2 34.85

2.497M 21 0 0 6 35.94

2.497M 1 2 5 35.94

2.351 3 1 1 6 38.26

2.310 4 4 1 3 38.96

2.298 5 3 3 0 39.17

2.275 3 5 0 2 39 .58

2.231 IL 2 4 1 40.40

2.159 2 4 2 2 41.80

2.122 1 5 1 1 42.57

2.087 9 3 3 3 43.33

2.060 1 1 5 2 43.91

2.013 1 0 5 4 44.99

1.9455 IL 4 3 1 46.65

1.9126 2 5 2 0 47.50

1.8664 9 5 0 5 48.75

1 Q R 1 R 1 . OO ID A nU 1 0 AQ 1 7 1.8035M 18 4 1 6 50.57

1.8035M 4 2 5 50.57

1.7857 2 5 2 3 51.11

1.7689 3 6 1 2 51.63

1.7306 6 1 2 8 52.86

1.7236 10 4 4 0 53.09

27
Calcium Aluminum Silicate Hydrate, Chabazlte, Ca2Al4Sl8024'12H20 - (continued)

o d(A) jrel

a = ±3

hk£ 2e(°)

1 .6921 4 3 3 6 54. 16

1.6660 4 0 0 9 55.08

1.6454 7 6 2 1 55.83

1.5864 2 0 4 8 58.10

1.5559M 7 6 0 6 59.35

1.5559M 6 1 5 59.35

1.5204 3 5 4 1 60.88

1.5155 4 5 1 7 61.10

28
Calcium Silicate (Larnite), p-Ca2Si04

Synonyms

Beta dicalclujn silicate

Belite

CAS registry no. 10034-77-2

Sample

The sample was made at the Portland Cement

Association Laboratory. CaCOs and Si02 with

0.5% B2O3 were heated at 900 "C for 20 minutes,

raised to 1450 *'C over 45 minutes, heated for

20 minutes and air quenched. PCA #102381-1.

Chemical analysis

Wt%: SiOa, 34.56; AI2O3, 0.17; FegOg, 0.03;

CaO, 64.24; SO3, 0.18; Na20, 0.33; K2O, 0.01;

Ti02, 0.01; B2O3, 0.18.

Color

Colorless

Structure

Monoclinic, P2i/n (14), Z = 4. The structure

of p-Ca2Si04 was determined by Midgley (1952).

Lattice constants of this salnnple

a = 9.310(2)A

b = 6.7565(10)

c = 5.5059(11)

P = 94.46(2)°

a/b = 1.3779

c/b = 0.8149

Volume J, 345.29 A^

Density

(calculated) 3.313 g/cm^

Polymorphism

There are a number of forms of Ca2Si04. The

beta form is unstable when it is pure. The

present sample was stabilized by 0.18% B2O3.

Figure of merit

F30 = 54.5(0.013,43)

Additional patterns

PDF card 9-351 (Yannaquis, 1955)

PDF card 29-371 (Smith and Fausey, 1977)

(calculated)

Brownmiller and Bogue, (1930)

References

Brownmiller, T. and Bogue, R. H. (1930). Amer.

J. Sci. 20, 241.

Midgley, C. (1952). Acta Crystallogr. 5, 307.

Smith, D. and Fausey, (1977). Annual Report

to the Joint Committee on Powder Diffraction

Standards

0 CuKOj \ = 1.540598 A; temp. 25±1 "C

Interna] standard a = 5.

0

0 rel hk£ a = ±1

A* . 07Z RQO " 1 0 1 Xo . iZ

4.641 9 2 0 0 19.11

3.824 5 2 1 0 23.24

3.786 5 1 1 1 23.48

3.378 7 0 2 0 26.36

D 1 1 97 ^ A 3.176 5 1 2 0 28.07

3.049 9 2 1 1 29.27

2.877 21 0 2 1 31.06

2.814 22 3 1 0 31.77

^ . / 7V 07 0 1 ^9

2.783 100 -1 2 1 32.14

2.745 83 0 0 2 32.59

2.718 30 1 2 1 32.93

2.610 42 3 0 1 34.33

r\ 1 2 9A

2.448 12 -2 0 2 36.68

2.433 9 3 1 1 36.91

2.410 13 1 1 2 37.28

2.403 18 2 2 1 37.40

^ . j^j A

*f 0 0

2.301 4 -2 1 2 39.12

2.281 22 3 2 0 39.48

2.189 51 1 3 0 41.21

2.165 13 2 1 2 41.69

9 1 9Q 7 AU 2 2 A9hZ . A9HZ

2.103 1 -1 2 2 42.97

2.091 6 -4 1 1 43.24

2.083 6 0 3 1 43.40

2.050 14 1 2 2 44.15

Q? 1 2 AA A'S 2.027 15 2 3 0 44.68

2.020 15 1 3 1 44.83

1.987 20 4 1 1 45.61

1.982 24 -2 2 2 45.75

1 Q 1 1 R 0 2 0A 7 1.8979 9 3 1 2 47.89

1.8935 11 2 2 2 48.01

1.8441 4 -4 0 2 49.38

1.8441M -4 2 1 49.38

1.8210 3 3 3 0 50.05

1.8051 9 -3 2 2 50.52

1.8018 9 -5 0 1 50.62

1.7899 7 5 1 0 50.98

1.7657 1 0 1 3 51.73

Yannaquis, N. (1955). Rev. Mater. Constr.

Trav. Publics 1955 , 213.

29
Calcium Silicate, (Larnite), p-Ca2Si04 - (continued)

d(A) a = ±1hk£ 2e(°)

1.7270 5 -1 3 2 52.98

1.7067 10 3 2 2 53.66

1.6964 5 1 3 2 54.01

1.6889 5 0 4 0 54.27

1.6282 12 5 2 0 56.47

1.6146 8 0 4 1 56.99

1.6110 10 2 1 3 57.13

1 . 6040M 11 2 3 2 57.40

1 . 6040M -1 2 3 57.40

1.5874 6 2 4 0 58.06

1.5839 7 1 4 1 58.20

1.5738 5 -4 3 1 58.61

30
Calcium Silicon Fluoride Hydrate, CaSiF6-2H20

Synonym

Calcium fluorosilicate dihydrate

CAS registry no. 16961-80-1

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA.

Color

Colorless

Structure

Monoclinic, P2i/n (14), Z = 4. The cell was obtained by using the Visser program (1969).

The space group was assumed by a study of the

extinctions

Lattice constants of this sample

a = 10.477(2)A

b = 9.1771(13)

c = 5.7281(13)

P = 98.98(2)°

a/b = 1.1416

c/b = 0.6242

Volume o 543.99 A3

Density

(calculated) 2.664 g/cm^

Figure of merit

F30 = 47.1(0.013,49)

M20 = 29.4

Additional pattern

PDF card 1-227 (Hanawalt et al., 1938)

References

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Visser, J. W. (1969). J Appl Crystallogr

2, 89.

CuKa \ = 1.540598

0A; temp. 25+1 °C

Internal standard Si, a = 5 43088 A

d(A) jrel hk£ 2e(°)

0 = ±2

6.85 16 1 1 0 12.91

5.323 43 -1 0 1 16.64

5.166 5 2

• 0 0 17.15

4.810 23 0 1 1 18.43

4.598M 16 -1 1 1 19.29

0

J /* * \ d(A)

^rel

I a = ±2

hk£ 28(°)

4.598M 0 2 0 19.29

4.503 9 2 1 0 19.70

4.195 27 1 2 0 21.16

4.160 21 1 1 1 21.34

3.783 19 -2 1 1 23.50

3.432 100 2 2 0 25.94

3.311 41 2 1 1 26.91

3.271 13 1 2 1 27.24

3.228 3 3 1 0 27.61

3.172 17 -3 0 1 28.11

3.079 12 -2 2 1 28.98

3.000 13 -3 1 1 29.76

2.932 4 1 3 0 30.46

2.757M 5 3 0 1 32.45

2.757M 3 2 0 32.45

2.717 9 -1 1 2 32.94

2.703 11 0 1 2 33.11

2.690 10 0 3 1 33.28

2.652 10 -1 3 1 33.77

2.633 3 2 3 0 34.02

2.559M 2 1 3 1 35.04

2.559M -2 1 2 35.04

2.491 4 4 1 0 36.03

2.417M 6 -1 2 2 37.17

2.417M -4 1 1 37.17

2.334 7 2 0 2 38.55

2.318 6 2 3 1 38.82

2 . 303M 15 -2 2 2 39.08

2.303M -3 1 2 39.08

2.293 14 0 4 0 39.25

2.279 6 1 2 2 39.51

2.261 20 2 1 2 39.83

2.252 14 4 2 0 40.00

2.239 23 1 4 0 40.24

2.199 8 -4 2 1 41.01

2.164 1 4 1 1 41.71

2.127 4 0 4 1 42.47

2.110 24 -3 2 2 42.83

2.084 2 -1 3 2 43.39

2.079M 3 2 2 2 43.50

2.079M -4 0 2 43.50

2.060 3 1 4 1 43.92

2 . 049M 13 -5 0 1 44.16

2.049M 3 3 1 44.16

2.020 4 5 1 0 44.84

2.009M 13 -2 3 2 45.09

2.009M -2 4 1 45.09

1.992 13 1 3 2 45.50

1.976 15 4 3 0 45.89

1.9103 26 3 4 0 47.56

31
Calcium Silicon Fluoride, Hydrate, CaSiF6'2H20 - (continued)

o a (.a;

0

_rel

X—— +0nKX

1.8865 17 5 2 0 48.20

1.8777 13 -3 3 2 48.44

1.8711 11 -5 2 1 48.62

1.8614 9 3 2 2 48.89

1 . ODOD H i.

1.7998 19 4 3 1 50.68

1.7860 2 -1 4 2 51.10

1.7760+ 10 -5 1 2 51.41

1.7760+ 4 0 2 51.41

1 . /DJo O

O A* i C 1 7Q Di - /y

1 . 7438+ 13 0 2 3 52.43

1.7438+ 4 1 2 52.43

1.7285 11 1 4 2 52.93

1.7144 9 5 3 0 53.40

o

_ c ~ J O 1 ^ 77

1 . 6944M 16 3 3 2 54.08

1.6944M 6 1 0 54.08

1.6921 14 -4 4 1 54.16

1.6566M 1 4 2 2 55.42

J

O

£. O

1.6312 3 2 5 1 56.36

1.5947 2 -2 3 3 57.77

1.5849M 5 2 2 3 58.16

1.5849M 5 3 1 58.16

L • DDy / C0 f.o

1111 oy • ly

1.5554M 3 3 0 3 59.37

1.5554M 1 3 3 59.37

1.5288M A -5 4 1 60.51

1.5288M 3 5 1 60.51

1 R 1 1 7 oJ

CDOZ Al 07 OX . Z /

1.4998 1 -6 2 2 61.81

1.4424 5 2 5 2 64.56

1.4354 4 -2 6 1 64.91

1.4145M 5 -1 1 4 65.99

U U

A

*f

1 . 4045+ 1 2 6 1 66.52

1.4045+ 4 4 2 66.52

1 . 3871M 3 -7 1 2 67.47

1.3871M 3 3 3 67.47

1.3756 3 -4 5 2 68.11

1.3638M 3 3 5 2 68.78

1.3638M 7 1 1 68.78

32
Cesium Iodide, CSI3

Synonym

Cesium triiodide

CAS registry no. 12527-22-9

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA. The

sample decomposed slowly in the open air.

Color /

Unground: dark purplish blue.

Ground: dark grayish reddish brown.

Structure

Orthorhombic, Pbnm (62), Z = 4. The structure

was determined by Tasman and Boswijk (1955).

Lattice constants of this sample

a = 10.0289(9)A

b = 11.0869(9)

c = 6.8457(8)

a/b = 0.9062

c/b = 0.6186

Volume o 761.17 A^

Density

(calculated) 4.482 g/cm^

Figure of merit

F30 = 83.5(0.007,50)

Reference

Tasman, H. A. and Boswijk, K. W. (1955).

Acta Crystallogr. 8, 59.

0 CuKa^ k = 1.540598 A; temp. 25±1 °C

Internal standard W, a 3.16524

0A

d(A)

^rel hk£ 2e(°)

a = ±3

5.658 5 1 0 1 15.65

5.542 4 0 2 0 15.98

5.035 7 1 1 1 17.60

3.959 36 1 2 1 22.44

3.800 43 2 1 1 23.39

3.720 15 2 2 0 23.90

3.468 20 1 3 0 25.67

3.423 79 0 0 2 26.01

3.268 100 2 2 1 27.27

3.093 10 1 3 1 28.84

3.004 10 3 0 1 29.72

2.899 11 3 1 1 30.82

2.863 14 3 2 0 31.22

2.826 4 2 0 2 31.63

2.772 12 0 4 0 32.27

d(A) l"^^^ hkP ZrO

a = +3

2.729 30 2 3 1 32.79

2.671 9 1 4 0 33.52

2.5687 5 0 4 1 34.90

2.5185 9 2 2 2 35.62

2.4781 1 3 3 0 36.22

2.4461 13 4 1 0 36.71

2.4372 12 1 3 2 36.85

2.4264 5 2 4 0 37.02

2.3312 4 3 3 1 38.59

2.3036 2 4 1 1 39.07

2.2846M 2 2 4 1 39.41

2.2846M 4 2 0 39.41

2. 1960 10 3 2 2 41.07

2.1662M 10 4 2 1 41.66

2.1662M 1 5 0 41.66

2.1544 10 0 4 2 41.90

2.1339 5 3 4 0 42.32

2. 1060 8 1 4 2 42.91

2.0751 5 4 3 0 43.58

2.0652M 6 1 2 3 43.80

2.0652M 1 5 1 43.80

2.0417 7 2 1 3 44.33

2.0231 2 4 0 2 44.76

2.0082 1 3 3 2 45.11

1.9898 12 4 1 2 45.55

1.9853 11 4 3 1 45.66

1.9796 5 2 4 2 45.80

1 .9451M 17 2 2 3 46.66

1.9451M 2 5 1 46.66

1.9248 5 5 0 1 47.18

1.9054 3 1 3 3 47.69

1.9002 4 4 2 2 47.83

1 .8957 4 5 1 1 47.95

1.8850M 5 5 2 0 48.24

1.8850M 3 0 3 48.24

1.8575 3 3 1 3 49.00

1.8476M 1 3 5 0 49.28

1.8476M 0 6 0 49.28

1.8295 6 1 5 2 49.80

1 .8172M 5 5 2 1 50.16

1.8172M 1 6 0 50.16

1.8105M 10 3 4 2 50.36

1.8105M 2 3 3 50.36

1.7945 11 4 4 1 50.84

1.7847M 5 3 2 3 51. 14

1 . 7847M 3 5 1 51.14

1.7737 3 4 3 2 51.48

1.7566 7 1 6 1 52.02

1.7336 2 2 6 0 52.76

1.7111 8 0 0 4 53.51

33
Cesium Iodide, CSI3 - (continued)

0 a(Aj

rel

X a = ±3

)

A J 1.6524M 4 6 1 0 55.57

1.6524M 5 2 2 55.57

1.6144+ 2 4 2 3 57.00

1.6144+ 4 5 1 57.00

0

1111 ^7 '^1 3 / . J 1 1.5809 2 5 4 1 58.32

1.5465 2 2 6 2 59.75

1.5346M 2 4 3 3 60.26

1.5346M 1 3 4 60.26

11 . J^H '^9i7

/

0 1 7 11 1.5068 2 5 0 3 61.49

1.4945 3 4 5 2 62.05

1.4881+ 4 6 1 2 62.35

1.4881+ 5 5 0 62.35

11 0 7 1X 1.4688 2 3 2 4 63.26

1.4561 2 0 4 4 63.88

1.4530M 1 5 5 1 64.03

1.4530M 4 6 1 64.03

1i. u 9 OH . X 0

1.4416M 5 4 4 3 64.60

1.4416M 1 4 4 64.60

1 . 4360M 6 3 5 3 64.88

1 . 4360M 0 6 3 64.88

1 .4212M 3 1 6 3 65.64

1.4212M 7 1 0 65.64

1.4015M 4 4 1 4 66.68

1.4015M 3 7 1 66.68

34
Cesium Molybdenum Oxide, CS2M03OX0

Synonyms

Cesium molybdate

Dicesium trimolybdate

Sample

The sample was prepared using cesium carbonate

and molybdic anhydride. Appropriate amounts were blended by grinding in an agate mortar

under acetone. The dried mixture was heated at

500 °C for a total of 16 hours with periodic

grinding. After the last heating, the sample

was ground to pass a 100 mesh sieve, and the

resulting powder was annealed at 240 "C for

19 hours.

Color

Colorless

Structure

Monoclinic, C2/c (15), Z = 4, isostructural

with K2Mo30io- The structure of K2M03O10

was determined by Gatehouse and Leverett

(1968).

Lattice constants of this sample

a = 14.469(2)A

b = 8.4022(9)

c = 9.4609(14)

P = 97.73(1)°

a/b = 1.7220

c/b = 1.1260

Volume g 1139.7 A^

Density

(calculated) 4.159 g/cm^

Figure of merit

F30 = 94.2(0.008,42)

Additional pattern

PDF card 24-277 (Salmon and Caillet, 1969)

References

Gatehouse, B. M. and Leverett, P. (1968).

J. Chem. Soc. A, 1398.

Salmon, R. and Caillet, P. (1969). Bull.

Soc. Chim. Fr. , 1569.

CuKofj \ = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5

0 43088 A

0 cl(A) jreil

hk£ 2e(°) a = ±4

7.237 17 1 1 0 12.22

5 933 18 -1 1 1 14 92

5 .552 19X 7 1 1 1 15 . 95

4 199 47 0 2 0 21 . 14

18XO •J 1 0

4.064 8 -1 1 2 21.85

3.975 13 -3 1 1 22 3S

3.823 100 1 1 2 23 . 25

3.699 34 2 0 2 24.04

3.644 88 3 1 1 24.41

3.625 35 2 2 0 24.54

3.586 15 4 0 0 24.81

3.462 93 -2 2 1 25 . 71

3 . 306M 14 -3 1 2

3 306M 2 2 1 26 95

3.127 19 0 2 2 28.52

3.052 50 -4 0 2 29 . 24

2 . 966 45 -2 2 2 30. 11

2.942M 41 -1 1 3 30.36

2.942M 3 1 2 30.36

2.801 2 1 1 3 31.93

2. 778 2 2 2 2 32 . 20

2 . 749 5 1 3 0 32 SS

2 . 727 18 4 2 0 32 . 82

2 .715 32 5 1 0 32 . 97

2.694 4 -4 2 1 33.23

2.657 3 -1 3 1 33. 71

2.620 11 1 3 1 34 . 20

2.548 3 4 2 1 35.20

9 470 7 -4 2 2

2.451 4 -2 2 3 36.64

2.416 1 •J 3 0 ^7 1

2 3903 J 0 0 37 . 60

3 1 OR

2 2762 -I 1 4 39 56

2.2565 12 -6 0 2 39.92

2.2287 5 5 1 2 40.44

2.1909 IL -5 1 3 41.17

2.1868 2 1 1 4 41.25

2.1677 13 -4 2 3 41.63

2 1514 6 -3 1 4 41 96

2 1456 8 2 0 4 42 08

2 0902M 6 -1 3 3 43 25

2 0902M 3 3 2 43 25

2 0801 7 -6 2 1 43 47

35
Cesium Molybdenum Oxide, CS2M03O10 (continued)

d(A) a = ±4hkJL 2e(»)

2.0497 11 0 4 1 44. 15

2.0457 3 0 2 4 44.24

2.0382 29 1 3 3 44.41

2.0223 10 6 0 2 44.78

2.0167 6 2 4 0 44.91

1.9994M 19 -7 1 1 45.32

1.9994M -5 3 1 45.32

1.9861M 10 -6 2 2 45.64

1.9861M -2 4 1 45.64

1.9562 8 2 4 1 46.38

1.9463 6 3 1 4 46.63

1 .9310 7 5 1 3 47.02

1.9225 11 5 3 1 47.24

1.8972M 4 -5 1 4 47.91

1.8972M 7 1 1 47.91

1.8773 3 -2 4 2 48.45

1 .8515M 8 3 3 3 49.17

1.8515M 4 0 4 49.17

1.8312 2 -6 2 3 49.75

1.8268 2 2 4 2 49.88

1.8122 IL 4 4 0 50.31

1 . 7978 4 -6 0 4 50.74

1 .7873M 7 -7 1 3 51 .06

1.7873M 1 1 5 51.06

1.7644 1 -5 3 3 51.77

1.7622 1 1 3 4 51.84

1.7512 3 7 1 2 52. 19

1.7129M IL -2 2 5 53.45

1.7129M 0 2 5 53.45

1.6938 4 4 2 4 54.10

1.6596M 8 -7 3 1 55.31

1.6596M -8 2 1 55.31

1 .6538M 11 -6 2 4 55.52

1.6538M 7 3 0 55.52

1.6489M 9 8 2 0 55.70

1.6489M -1 5 1 55.70

1.6435M 5 6 2 3 55.90

1 .6435M -5 1 5 55.90

1.6193M 7 -8 2 2 56.81

1.6193M 5 3 3 56.81

1.6162 15 -4 4 3 56.93

1.5987M 8 -5 3 4 57.61

1.5987M 7 3 1 57.61

1.5896 4 8 2 1 57.97

1.5854 4 3 5 0 58.14

1.5787M 6 -6 4 1 58.41

1.5787M -9 1 1 58.41

1.5643M 7 1 5 2 59.00

1.5643M 0 4 4 59.00

1.5516 6 3 5 1 59.53

d(A) jrel

a = ±4

2e('»)

1.5476 5 -9 1 2 59.70

1.5385 6 -8 2 3 60.09

1.5332M 10 6 4 1 60.32

J 1.5227+ 5 -3 5 2 60.78

1.5227+ -3 1 6 60.78

1.5114 2 9 1 1 61.28

1.4982 1 8 2 2 61.88

62 4R

1.4816M 5 -1 5 3 62.65

1.4816M 3 5 2 62.65

1.4718M IL -2 2 6 63.12

1.4718M 6 2 4 63.12

1 . 4634M 4 -7 1 5 63.52

1.4634M 1 5 3 63.52

1.4612 4 -6 4 3 63.63

1.4496 IL 5 5 0 64.20

1.4398 1 -3 5 3 64.69

\
Chromium Borlde, CrS

Synonym

Chromium diboride

CAS registry no. 12007-16-8

Sample

The sample was obtained from the Metallurgy

group at NBS. A small admixture of Cr was removed by sieving.

Color

Olive gray

Structure

Hexagonal, P6/mmm (191), Z = 1, (PDF card

8-119).

Lattice constants of this sample

a = 2.9730(13)A

c = 3.0709(2)

c/a = 1.0329

Volume o 23.506 A^

Density

(calculated) 5.200 g/cm^

Figure of merit

F20 = 94.4(0.011,20)

0

CuKa, K

1 = 1. 540598 A; temp. 25±1 °C

Internal standard W, a 3.16524

0A

0 d(A) TJ rel hk£ 2e('') — +1

3.071 0 0 1 29.05

2.574 3 / 1 0 0 34.82

1 .9730 100 1 0 1 45 . 96

1 .5355 10 0 0 2 60.22

1 . 4866 ZD 1 1 0 62.42

1 . 3380 1 1 1 70.30

1.3191 1 ^ 1 0 2 71.46

1 .2871 7 2 0 0 7"^ S2

1 . 1874 16 2 0 1 80. 89

1.0682 ID 1 1 2 92.29

1.0238 11 0 0 3 97.60

.9865 00 2 0 2 102.67

.9732 6 2 1 0 104.65

.9512 9 0 3 108 . 15

.9277 20 2 1 1 112.26

.8582 7 3 0 0 127.67

.8430 4 1 1 3 132.05

.8265 4 3 0 1 137.50

.8220 11 2 1 2 139.15

.8012 8 2 0 3 148.09

Additional pattern

PDF card 8-119 (Paretzkin, 1956, Polytechnic Institute of Brooklyn, Brooklyn,

NY.)

37
Chromium Niobium Oxide, CrNb04

Synonyms

Niobium chromium oxide

Chromium niobate

CAS registry no. 58500-35-9

Sample

Made by heating Cr203 and Nb205 at 1000 °C for

24 hours. The sample contained some Cr203.

Color

Gray olive

^^tructure

Tetragonal, P42/mnm (136), Z = 1. Rutile

structure (Brandt, 1943). The structure of

CrNb04 is discussed by Khazai et al. (1981).

Lattice constants of this sample

a = 4.6443(2)A

c = 3.0125(3)

c/a = 0.6486

Volume o 64.977 A^

Density

(calculated) 5.338 g/cm^

Figure of merit

F28 = 60.94(0.013,36)

Additional patterns

PDF card 20-311 (Young, Battelle Mem. Inst.,

1964)

PDF card 31-927 (Ben-Dor and Shimony, 1978).

The composition of this phase is Cro.4Nbo.6O2-

References

Ben-Dor, L. and Shimony, Y. (1978). J. Cryst.

Growth 34, 1.

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

17A , 15.

Khazai, B., Kershaw, R. , Dwight, K. , and Wold,

A. (1981). J. Solid State Chem. 39, 395.

0 ,rel

a = ±1

hk£ ZO( )

OZ 9 1 1 J J . J** 1.6421 18 2 z u 55.95

1.5066 7 0 0 2 61.50

1.4690 13 3 1 0 63.25

1.4419 IL 2 z

t1 64.58

1 ^779 11 7/ u 1 Aft (\0

1.3696 12 1

11 z 68.45

1.3204 1 3 1 1 71.38

1.2638 3 2 0 2 75.11

1.2190 1 2 1 / 78.38

e.0

0J Z X

ft! 1 ^ 1.1614 2 4

r\U u 83.10

1.1100 6 2 2 2 87.89

1.0945 3 3 3 0 89.46

1.0551 7 4 1 I 93.79

00

5

1 z 1.0384 3 4 2 0 95.77

.9816M 2 4 z i 103.39

.9816M 1 0 3 103.39

.9289 1 4 3 0 112.05

.9108 IL 5 1 0 115.51

.9039 3 2 1 3 116.90

.8875 4 4 3 1 120.43

.8854 4 3 3 2 120.91

CuKa, A = 1.540598 A; temp. 25±1 "C

•I o Internal standard W, a = 3.16524 A

d(A) l"^^^ hki 2e(°)

3.283 100 1 1 0 27.14

2.528 65 1 0 1 35.48

2.322 15 2 0 0 38.75

2.220 11 1 1 1 40.60

2.077 4 2 1 0 43.54

38
Cobalt Arsenate Hydrate (Erythrite), Co3(As04)2*8H20

Synonym

Cobalt orthoarsenate octahydrate

CAS registry no. 54496-59-2

Sample

The sample was made by slowly adding 2 grams

of Na2HAs04 '71120 dissolved in 1 liter of H2O

to 2 grams of C0SO4 in 3 liters of H2O. The

liquid was kept at about 70 °C for 40 days

Spectrographic analysis

Major impurities

0.02 to 0.1% Ni

0.01 to 0.05% Cu,Si

0.005 to 0.025% Al.Fe

0.002 to 0.01% Mn,Sn,Zn < 0.005% Ag,Mg

Color

Medium purplish pink

Structure

Monoclinic, I2/m (12), Z = 2. Vivianite

structure (Wolfe, 1940). The structure of

vivianite, Fe3(P04)2 •8H2O, was discussed by

Mori and Ito (1950).

Lattice constants of this sample

a = 10.118(5)A

b = 13.433(4)

c = 4.762(2)

P = 101.90(3)°

a/b = 0.7532

c/b = 0.3545

Volume o 633.32 A^

Density

(calculated) 3.140 g/cm^

Comment

Note the similarity between the data

above, and the data for the phase

Zn3(As04)2 •8H2O, also appearing in

this Monograph.

Figure of merit

F30 = 43.0(0.013,53)

Additional pattern

PDF card 11-626 (U.S. Bureau of Mines, Albany,

OR)

References

Mori, H. and Ito, T. (1950). Acta Crystallogr.

3, 1.

Wolfe, C. W. (1940). Am. Mineral. 25, 787.

0

CuKOj \ = 1.540598 A; temp. 25±1 "C

s t* A nHA Si a = 5. 43068

0

0 rel hk£ a = ±1

26 1± 1 0 n n

6.72 100 0 2 0 13.17

4.951 9 2 0 0 17.90

4.602 2 -1 0 1 19.27

4.403 19 0 1 1 20.15

4. 081 1 3 0 21 . 76

3.978 7 2 2 0 22.33

3.916 12 1 0 1 22.69

3.787 2 -1 2 1 23.47

3.663 7 -2 1 1 24.28

3 381 QJ 2 1 26 34

3.357 4 0 4 0 26.53

3.227 42 0 3 1 27.62

3.003 47 -3 0 1 29.73

2.779 9 2 4 0 32.18

2 740 30 2 1 32.66

2.712 24 -1 4 1 33.00

2.658 14 3 3 0 33.69

2.593 1 1 5 0 34.56

2.549 9 1 4 1 35.18

2 463 18 0 1 36 45

2.327 17 0 5 1 38.66

2.238M 3 0 6 0 40.26

2.238M -3 4 1 40.26

2.196 9 -2 5 1 41.06

7 -^•J 1 2 43 17

2.083 9 3 5 0 43.41

2.040 2 2 6 0 44.36

2.012 3 -1 6 1 45.02

1.987 5 3 4 1 45.61

1.954 7- 1 3 2 46.44

1.9172 8 -3 3 2 47.38

39
Cobalt Phosphate Hydrate, C03(P04)2 -SHaO

Synoaym

Cobalt orthophosphate octahydrate

CAS registry no. 10294-50-5

Sample

The sample was prepared by dissolving stoichiometric amounts of C0SO4 and Na2HP04 in

water and letting the solution partly evaporate at room temperature

Color

Unground: deep red

Ground: moderate pale red

Structure

Monoclinic, I2/m (12), Z = 2. The pattern was indexed by analogy with the pattern of the

corresponding iron compound vivianite. The

structure of vivianite was discussed by Mori

and Ito (1950).

Lattice constants of this sample

a = 9.9265(14)A

b = 13.3360(14)

c = 4.6786(7)

p = 102.310(12)°

a/b = 0.7443

c/b = 0.3508

Volume o 605.11 A^

Density

(calculated) 2.804 g/cm^

Figure of merit

F30 = 97.0(0.007,43)

Additional pattern

PDF card 1-0121 (Hanawalt et al., 1938)

References

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10,

457.

Mori, H. and Ito, T. (1950). Acta

Crystallogr. 3, 1.

CuKa \ = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel hk£ 20(°) a = ±3

7.852 23 1 1 0 11.26

6.667 100 0 2 0 13.27

4.849 25 2 0 0 18.28

4.521 15 -1 0 1 19.62

4.323 6 0 1 1 20.53

d(A) l""^^ hk£ 2e(°) a = ±3

4.042 15 1 3 0 21.97

3.832 23 1 0 1 23. 19

3.609 5 -2 1 1 24.65

3.320 5 1 2 1 26.83

3.187 31 0 3 1 27.97

3.141 4 3 1 0 28.39

2.946 32 2 1 1 30 . 31

2.866 2 -2 3 1 31.18

2.749 5 2 4 0 32.55

2.698 27 -3 2 1 33.18

2.683 23 -1 4 1 33.37

2.615 11 3 3 0 34.27

2.572 5 1 5 0 34.86

2.5150 18 1 4 1 35.67

2.4981 8 2 3 1 35.92

2.4082 17 3 0 1 37.31

2.3036M 13 0 5 1 39 .07

2.3036M -1 1 2 39.07

2.2647 4 3 2 1 39.77

2.2104 12 -3 4 1 40.79

2. 1727 11 -2 5 1 41.53

2. 1628 6 0 2 2 41 . 73

2. 1417 3 -2 2 2 42.16

2.0985 1 1 1 2 43.07

2.0842 2 -4 3 1 43.38

2.0576 8 3 5 0 43.97

2.0214 1 2 6 0 44.80

1.9953 3 -1 6 1 45.42

1.9530 3 4 1 1 46.46

1.9222 8 1 6 1 47.25

1.9176 11 1 3 2 47.37

1.8909 7 -3 3 2 48.08

1.8701 5 1 7 0 48.65

1.8632 2 -5 2 1 48.84

1.8424 1 2 2 2 49.43

1.8051M 3 4 3 1 50.52

1 .8051M -4 2 2 50.52

1.7785 2 5 3 0 51.33

1.7686 5 -4 5 1 51.64

1.7581M 5 0 7 1 51.97

1.7581M -1 5 2 51.97

1.6671 9 0 8 0 55.04

1.6635M 11 5 0 1 55.17

1.6635M 1 5 2 55.17

1.6440 8 -3 5 2 55.88

1.6154 2 6 0 0 56.96

1.5904 5 3 3 2 57.94

1.5866 5 4 5 1 58.09

1.5765 2 2 8 0 58.50

1.5706 7 6 2 0 58.74

40
Cobalt Phosphate Hydrate, Co3(P04)2'8H20 - (continued)

o rel

X a = ±3

1.5694 7 5 5 0 58.79

X • JDHJ .IX »o

1X '^ft QQ

1.5581 2 -5 3 2 59.26

1.5367 3 -6 3 1 60.17

1.5281 3 1 8 1 60.54

1.5103 4 4 0 2 61.33

11 . D\j ^n7Q/ y

AH nu O 1 . LL*tH 1.4883 2 5 4 1 62.34

1.4766 6 -6 0 2 62.89

1.4728 4 4 2 2 63.07

1.4647 3 -2 3 3 63.46

q O D

Oz 1.4418M 2 -6 2 2 64.59

1.4418M 0 3 3 64.59

1.4352 IL 3 5 2 64.92

1.4247 2 1 2 3 65.46

1 L1R7 1X

1X 7 o 1.4115M 3 -7 0 1 66.15

1.4115M -5 5 2 66.15

1.4094 3 0 9 1 66.26

1.3958 2 -6 5 1 66.99

1X » J^711M 1 X 111 o 7 1 1.3711M 3 8 1 68.36

1.3465M 1 3 9 0 69.79

1 . 3465M 0 8 2 69.79

1.3406 3 -2 5 3 70.14

1.3334 4 0 10 0 70.58

1.3299 4 2 9 1 70.79

1.3233M 3 0 5 3 71.20

1.3233M 7 3 0 71.20
Erbium

Synonym

Erbium diiron

CAS registry no. 12060-15-4

Sample

The sample was obtained from the Solid State

Physics Division at NBS.

Color

Dark grayish olive

Structure

Cubic, Fd3m (227), Z = 8. The structure was determined by Wernick and Geller (1960).

Lattice constant of this sample

a = 7.2777(2) A

Volume- o 385.46 A^

Density

(calculated) 9.614 g/cm^

Figure of merit

F23 = 63.8(0.014,26)

Additional pattern

PDF card 17-32 Dwight, Met. Div. , Argonne

Nat. Lab., Argonne, IL.

Reference

Wernick, J. H. and Geller, S. (1960).

Trans. AIME 218, 866.

Iron, ErFe2

0 CuKa^ \ = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4. 08651 A

0 d(A)

rel hk£ 2e(°) a = ±3

4.201 9 1 1 1 21.13

2.572 '^4 9 2 0 34.85

2.193 100 3 1 1 41.13

2.101 18 2 2 2 43.01

1.8193 IL 4 0 0 50.10

1.6699 5 3 3 1 54.94

1.4861 Of, AH 2 2 62.44

1 . 4006 32 5 1 1 66.73

1.2862 20 4 4 0 73.58

1.2305 3 5 3 1 77.51

1.1509 13 6 2 0 84.03

1.1098 12 •J 3 3 87.91

1.0971 6 6 2 2 89.19

1.0504 IL 4 4 4 94.33

1.0190 2 5 5 1 98.21

.9726 12 6 4 2 104.74

.9476 20 7 3 1 108.76

.9096 6 8 0 0 115.75

.8892 IL 7 3 3 120.06

.8576 8 6 6 0 127.85

.8403 12 7 5 1 132.89

.8349 4 6 6 2 134.63

.7988 2 9 1 1 149.28

42
Ethyl enedi amine Hydrochloride, C2H8N2'2HC1

Synonyms

1 ,2-Ethanediamine dihydrochloride

1 ,2-Diaminoethane dihydrochloride

Ethylene diammonium chloride

CAS registry no. 20273-40-9

Sample

The sample was obtained from Sigma Chemical

Co., St. Louis, MO. It was recrystallized

from water.

Color

Colorless

Structure

Monoclinic, P2i/a (14), Z = 2. The structure

was determined by Ashida and Hirokawa (1963).

Lattice constants of this sample

a = 9.9683(13)A

b = 6.8913(12)

c = 4.4293(6)

P = 91.311(12)°

a/b = 1.4465

c/b = 0.6427

Volume o 304.19 A^

Density

(calculated) 1.452 g/cm^

Figure of merit

F30 = 57.8(0.011,49)

Additional patterns

PDF card 9-580 (Brock and Hannum, 1955)

PDF card 20-1692 (Gatte, Penn. State

Univ., 1967)

References

Ashida, T. and Hirokawa, S. (1963). Acta

Crystallogr. 16, 841.

Brock, M. J. and Hannum, M. J. (1955).

Anal. Chem. 27, 1374.

CuKOj K = 1.540598 A ; temp

25+1 "C

Internal standard Si , a = 5 .43088 A

d(A) jrel hk£ 2e(°) a = ±3

5.669 1 1 1 0 15.62

4.427 5 0 0 1 20.04

3.725 15 0 1 1 23.87

3.466 100 1 1 1 25.68

3.350 89 -2 0 1 26.59

0 rel

X a = ±3hk£

1X AU 97 '^7 3.012 47 -2 1 X 29.64

2.993 86 3 1 0 29.83

2.956 59 2 1 1 30.21

2.836 25 2 £. Au 31.52

A.7 *T / 0

X "^9 Q1

2.633 10 -1 0 1X 34.02

2.504 9 -3 1 1 35.83

2.491 8 4 0 0 36.03

2.458 17 3 X X 36.53

0

X J / . HO

2.373 IL 2

0z X 37.88

2.343 20 4 1 0 38.38

2.215 6 0 0 2 40.71

2.151 9 4

AU X 41.96

z X A9 fi"; 2.107 6 0 X z 42.89

2.086 25 2 3 0 43.34

2.0715 8 -1 1 2 43.66

2.0541M 17 1

1X 44.05

^ . UJ *+ XLX At X

1X 2 . 0404M 10 -2 0 44.36

2 . 0404M 0 3 1 44.36

2.0066 5 2 0 2 45.15

1.9577 2 -2 1X z9 46.34

1 Q1 L'^ JJ ^ X A 1.8799 13 2

0

X 48.38

1.8504 3 -4 2 1 49.20

1.8375 4 -1 2 2 49.57

1 . 8244M 5 1 0z z9 49.95

A z X 1.7972 2 -3 X Z9 50.76

1.7721 13 -5 1 1 51.53

1.7252 4 5 2 0 53.04

1.6982 6 1 A AU 53.95

1 . OOo X Af

AU 1.6750 IL -4 U z 54.76

1.6610 4 6 0 0 55.26

1.6381 11 -3 2 2 56.10

1.6264 3 -4 X z 56.54

1 A 1 1 A 7 Z

0z JS71 * 1ft i-V 1.5969 16 5 z X 57.68

1.5934 17 0 3 2 57.82

1.5859 18 -4 3 1 58.12

1.5691M 4 1 3 2 58.80

1.5691M 4 3 1 58.80

1.5665 3 -6 0 1 58.91

1.5436 4 6 0 1 59.87

1 .5284 1 -6 1 1 60.53

1.5249M 2 -2 3 2 60.68

43
Ethyl enedi amine Hydrochloride, C2H8N2*2HC1 (continued)

o d(A;

^rel

a = ±3

1.5249M 2 4 1 60.68

1.5117 3 2 3 2 ol . 27

1.5061+ 5 6 1 1 61.52

1.5061+ -4 2 2 61.52

1.4958 1 6 2 0 61.99

1.4776 2 4 2 2 62.84

1 . 4o43 1 -5 1 2 o3 . 48

1.4502 1 -3 4 1 64.17

1.4434 2 0 1 3 64.51

1.4414 3 3 4 1 64.61

1.4327+ 2 -1 1 3 65.05

1.4327+ -5 3 1 65.05

1.4235M 1 -2 0 3 65.52

1.4235M 1 1 3 65.52

44
Ethyl enedi ami netetraacetic Acid, CioHi6N208

Synonyms

N,N' -1 ,2-EthanediylbislN-(carboxymethyl)

glycine]

Edetic Acid

EDTA

Versene

CAS registry no. 60-00-4

Sample

The sample was prepared at NBS and recrystallized from water.

Color

Colorless

Structure

Monoclinic, A2/a (15), Z = 4. The structure

was determined by Lu and Shao (1962).

Lattice constants of this sample

a = 16.112(3)A

b = 5.5774(15)

c = 13.287(3)

p = 96.30(2)°

a/b = 2.8890

c/b = 2.3825

Volume o 1186.8 A^

Density

(calculated) 1.636 g/cm^

Figure of merit

F30 = 47.7(0.013,50)

Additional pattern

PDF card 27-1927 (Wang, P., Polytechnic

Institute of Brooklyn, Brooklyn, N.Y.)

Reference

Lu, Y. T. and Shao, M. C. (1962). Sci. Sin.

9, 469.

0 CuKoij A. = 1.540598 A; temp

25±1 °C

Internal standard Ag, a = 4. 08651 A

d(A) jrel

hkSL 2e(°) a = ±4

8.01 17 2 0 0 11.04

6.59 23 0 0 2 13.42

5.394 13 -2 0 2 16.42

5.142 12 0 1 1 17.23

4.960 40 -1 1 1 17.87

4.847M 4 2 0 2 18.29

4.847M 1 1 1 18.29

4.412 32 -2 1 1 20.11

4.003 100 4 0 0 22.19

3.783 12 -3 1 1 23.50

0 d(A)

T jrei

CT — Zh

hkJ^ 2e(°)

3.603 81 -4 0 2 24.69

zl -

1 3 Z3 . 00

z5 1

11 03 zo . ol

3 . 27o 9 -z

11 30 T OA Z7 . zO

0 ion 3 . loO 11 -z 0 if 00 A A ZO . Oh

3.079 22 2 1 3 28.98

0 A0

J . UZi ZZ ~6 1 3 OA C /. zy .sh

2940 7

f-\ Z 0 t 30 . 38

2 . 773 z4 -5 1 1 00 0^ 3z . ZO

i. . byo n

y U 00 OA 33 . zu

2.669M 5 6 0 0 33.55

z . ooyn r3 1 1 33 . 55

z . 0 JZ if Z z

AU

0 /. A /. 3't . OA- 0 R "7/. Q0 -0 A

U Z

0 /. 00 3'f . oz

Z . 0 io 1 z z

0 c 0 35 . oz

2.511 4 4 1 3 35.73

0 A T7 "7/ "Z z z 3o . ZH

Z . z

c "D 1 3 30 . 55

Z . H Id z J Z z z 3 / . lo z . jyo y - X i

rD

0 "7 /. Q 3 / . HO

2.385 8 6 0 2 37.68

Z . Jfl X z z JO . Z 1 z . J3 jn -z 1 r 00 01 3o . zl

Z . JZO X 1

-11

r 3o . o5

Z . Zoo z z U OA 0 C 39 . 35

2.227 5 2 1 5 40.48

Z . ZUi Xz 0

A0

/:D

/.A n "7 40 . 97

0 1 0 1 M z . 1 J in - 1 z AO 00 HZ . 3o

z . 1 J xn u z AO 00 HZ . Jo

Z . iZD 7

- / 1 X AO CI hZ . 5 1

2.093 6 1 2 4 43.20

z . Odd "7 z AU

r0 . oX

Z . Ozifn /\z -4 A0

/-0

/ / "TO 44 . 73

z . Oz^fM z z

/ /. TO 44 , 73

2 .012 4 -5 1 5 45 . 03

1.977 4 -8 0 2 45.87

1.973 /: 0

Ac AC h5 . 95

1.964 6 5 2 2 46.18

1.929 4 6 2 0 hi .01

1.8593 1 8 0 2 48.95

1.8389 4 8 1 1 49.53

1.8025 7 -8 0 4 50.60

45
Hafnium Nitride, HfN

Synonym

Hafnium mononitride

CAS registry no. 25817-87-2

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA.

Color

Dark olive brown

Structure

Cubic, Fm3m (225), Z = 4. Glaser et al.

(1953).

Lattice constant of this sample

a = 4.5253(4)A

Volume o 92.67 A3

o CuKa^ k = 1.540598 A; temp

25±1 °C

standard Ag, a = 4

o 086S1 A

o df Al j-rei. hk£ a = ±1

100 1 1 1 ^4 ^1 2.262 62 2 0 0 39.82

1.6002 37 2 2 0 57.55

1.3641 33 3 1 1 68.76

1.3061 o 2 2 72.28

1.1314 4 4 0 0 85.82

1.0379 8 3 3 1 95.84

10 4 2 0 99 13

.9237 7 4 2 2 113.01

.8710 7 5 1 1 124.36

Density

(calculated) 13.797 g/cm^

Figure of merit

Fio = 63.3(0.016,10)

Additional pattern

PDF card 25-1410 (Fiala, Central Researcn

Institute, Skoda, Czechoslovakia, 1973).

Reference

Glaser, F. W. , Moscowitz, D. , and Post, B. (1953). J. Metals 5, 1119.

46
p-Iodobenzoic Acid, C7

CAS registry no. 691-58-9

Sample

The sample was obtained from Eastman Organic

Chemicals, Rochester, NY. It was recrystallized from ethanol.

Color

Colorless

Structure

Monoclinic, P2i/n (14), Z = 4. The structure

was determined qualitatively by Toussaint

(1950, 1952).

Lattice constants of this sample

a = 30.087(5)A

b = 6.0346(12)

c = 4.1563(9)

P = 90.55(2)°

a/b = 4.9857

c/b = 0.6887

Volume o 754.60

Density

(calculated) 2.183 g/cm^

Figure of merit

F30 = 42.1(0.010,69)

Additional pattern

PDF card 11-828 (Cherin, Polytechnic Institute

of Brooklyn, 1960)

References

Toussaint , J. (1950). Congr . Nat. Sci.

Bruxelles Radiologie, P- 169

Toussaint , J. (1952). Mem. Soc. Roy. Sci.

Liege 12, 1.

CuKa. \ = 1.540598

0A; temp. 25±1 °C

Internal standard W, a = 3.16524

0A

d(A) jrel

hkS. 2e(°) a = ±3

15.07 100 2 0 0 5.86

7.53 8 4 0 0 11.75

5.604 8 2 1 0 15.80

5.175 3 3 1 0 17.12

4.706 57 4 1 0 18.84

4.261 4 5 1 0 20.83

4.124 8 -1 0 1 21.53

3.855M 61 6 1 0 23.05

3.855M -3 0 1 23.05

3.764 7 8 0 0 23.62

47

0 d(A) jrel hk£ 2e(»)

3.501 4 7 1 0 25.42

J . jyy JO 1 X

1X ZO • zu

0 00 A J . JJH c3 z X

1X ZD0<i 70 • /Z

i . ZiCts Q 1 - X X 07 Al z / • 0 X 0 1 n 1 0 X A

u

07 QA z/ . y*f

3.109 3 4 1 1 28.69

0 - VVy 1

n

U Av OQ <i7 zy . D /

1 fi io 7/ U X jUm. nouz

1 a c

X X

1

. X J

0J Z Au ju • onyu

2.801 3 4 2 0 31.93

Z . O7U 0 — / X X J J . ZO

z . 00 / 7 X

1X J3 . 30

Z . Dy5 c3 y U X JH . 30

AH

A

U

Au 7Q 33 . /y

2.433 5 1 2 1 36.92

/ •y X X 3 / . 0 "3 CO 0

0y X X ^7 7^ 3/ . /3

0 Q 7 A 00z X ^7 fiA 3 / . oO

» 1 1 U 1X 3y . Z3

2.267 4 -5 2 1 39.72

cJ

0z X QQ QO jy • y z

0 0/. 1 Z . ZHl 11 Q z A

u AA4U . OAZU

0 1 / fi A 1 A A

u

Au AOHZ • AQ

0 1 Q A 1 M z

Au AOHZ • AAH

2.1301M 11 1 1 42.40

Z . 1 lOo A 7/ z X AOHZ Aft • DO

z . uzo /n J z

Au HH . / U

z . UZD /n 1 A X A

u AAHH • 7A/U

z . u mz QJ

1I J

Au

1X AAHH . 07y /

2.0074M 3 -4 0 2 45.13

z . oo7'»n 1 A f3 . X3

1 . yooun £0> y X

1

HO .10

1 . 9o50n A X z 40 . XD

1 . 9498 5 -z 1 z AA tA HO .3H

1.9435 6 4 3 0 46.70

1 . yZDZ+ c3 -0 Au z A7 1

*/ . 1 /

1 . yz3Z+ n1 z A7* 1 7 / . 1 /

1 n 1 0 A A Au z

A7 Aft H/ . Ho

1 . cSoUD 1 T 1 ^ A A

u

Aft HO "iA . 30

1.8737 IL -5 1 2 48.55

1 0 £ 7 0 0 J A

u

A ft 7Q Ho . /3

"1 QAOO 1 . 00 0 eD X z

Aft Ho fiA . oH

7 J A

u 3Ue A AA . UH

1 . 0 loo J

1 1 X X 0z X 3U^A 1 ft

. lo

1.8122M 3 -15 0 1 50.31

00 z 3U^ A Q 1

. 31

1.7952 2 16 1 0 50.82

1.7737 1 8 3 0 51.48

1.7503 1 14 2 0 52.22

1.7478 1 -8 1 2 52.30

1.7255 2 15 1 1 53.03
Iron Aluminum Oxide (Hercynite), FeAl204

Synonym

Iron aluminate

CuKofj X = 1.540598 A; temp. 25±1 °C

CAS registry no. Internal standard Si, a = 5. 430825 A

12068-49-4

Sample d(A) jrel hk£ 2e(°)

The sample was prepared by grinding under a = ±2

acetone stoichiometric amounts of a-Fe203

and Y-AI2O3 in an agate mortar. After 4 .709 3 1 1 1 18 83

drying, the mixture was transferred to an 2 .883 58 2 2 0 30 99

iron crucible for heat treatment in con- 2 .460 100 3 1 1 36 50

trolled atmosphere. The sample was heated 2 .0382 17 4 0 0 44 41

at 1200 °C for 8 hours in an oxygen pressure 1 .8711 5 3 3 1 48 .62 < 2Q_16 atm. followed by grinding and

reheating for 8 hours at 1300 °C for 8 1 .6649 16 4 2 2 55 .12

hours in an oxygen pressure < 10 atm. 1 .5691 36 5 1 1 58 .80

1 .4414 42 4 4 0 64 .61

Color 1 .2892 5 6 2 0 73 .38

Greenish gray 1 .2434 8 5 3 3 76 .56

Structure 1 .2293 3 6 2 2 77 .60

Cubic, Fd3m (227), Z = 8. Isostructural 1 .1769 2 4 4 4 81 .77

with spinel (Holgersson, 1927). The 1 .1417 1 5 5 1 84 .86

structure of spinel was determined by , 1 .0897 5 6 4 2 89 .97

Bragg (1915) and Nishikawa (1915). 1 .0614 10 7 3 1 93 .06

Lattice constant of this sample 1 .0191 5 8 0 0 98 .20

a = 8.1534(1)A .9962

.9608

IL

3

76

3

6

3

0

101

106

.29

.59

Volume 0 542.03 A^

.9415 5 7 5 1 109 .81

. 9353 1 6 2 110 .89

Density

(calculated) 4.260 g/cm^

.9116

.8949

.8691

3

2

2

8

96

4

16

0

14

115

118

124

.35

.80

.82

Figure of merit

F27 = 112.33(0.008,32)

.8547

.8321

510

983

4

14

128

135

.64

.55

Additional patterns

PDF card 3-894 (Dow Chemical Co., Midland, MI)

.8195

.7995

1371072

10

140

148

.10

.93

Clark, et al. (1931)

Fischer and Hoffmann (1955)

Krause and Thiel (1932)

References

Bragg, W. H. (1915). Nature London 95, 561.

Clark, G. L. , Ally, A., and Badger, A. E. (1931). Am. J. Sci. 22, 539.

Fischer, W. A. and Hoffmann, A. (1955).

Arch. Eisenhuettenw 26, 43.

o Holgersson, S. (1927), Lunds Univ. Arsskr.

Avd. 2, 23 No. 9.

Krause, 0. and Thiel, W. (1932). Z. Anorg.

Allgem. Chem. 203, 120.

Nishikawa, S. (1915). Proc. Tokyo Math.

Phys. Soc. 8, 199.

48
Iron Antimony Oxide, FeSb04

Synonym

Iron antimonate

Sample

The sample was prepared at NBS.

Chemical analysis

Chemical analysis showed 22.94 weight

percent Fe, 49.47 weight percent Sb,

and by difference, 27.59 weight percent

oxygen. On this basis, the composition

most nearly corresponds to the formula

FeSb04

Color

Medium yellowish brown

Structure

Tetragonal, P42/mnm (136), Z = 1, isostructural with rutile (Brandt, 1943).

Lattice constants of this sample

a = 4.6352(2) A

c = 3.0733(2)

c/a = 0.6630

Volume o 66.030

Density

(calculated) 6.076 g/cm^

Figure of merit

F30 = 61.2(0.011,43)

Comment

PDF card 7-349 (Mason and Vitaliano, 1953)

requires the value of c = 9.14 only because

of its first reflection. The pattern may

be a mixture of the rutile and trirutile

phases of Fe Sb O4.

X y

*

References

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

17A, 15.

Mason, B. and Vitaliano, C. J. (1953).

Mineral. Mag. 30, 100.

0

LUK.C(

J

A. = 1.540598 A; temp.

Internal standard Ag, a = 4.

0 08651 A

d(A) jrel hk£ 28(<*)

a = ±2

3.279 100 1 1 0 27.17

2.562 71 1 0 1 34.99

2.318 1 / 0 0 38.82

2.242 8 1 1 1 40.19

2.0720 3 2 1 0 43.65

1.7185 56 2 1 1 53.26

1.6386 14 2 2 0 56.08

1.5367 0

AU 0 2 60,17

1.4655 10 3 1 0 63.42

1.3912 12 1 1 2 67.24

1.3802 14 3 0 1 67.85

1.3231 IL 3 1 1 71.21

1.2806 AH z 0 2 73.96

1.2344 IL 2 1 2 77.22

1.1858 7 3 2 1 81.02

1 . 1585 3 4 0 0 83.35

1.1211 4 2 2 2 86.80

1.0925 3 0 89.67

1.0606 5 3 1 2 93.15

1.0559 5 4 1 1 93.69

1.0364 2 4 2 0 96.02

1.0004 2 1 0 3 100.71

.9253 A* 0 2 112.71

.9183 4 2 1 3 114.03

.9091 2 5

1X 0 115.84

.8903 3 3 3 2 119.82

.8877 5 4 3 1 120.40

.8593 3 4 2 2 127.38

.8538 2 3 0 3 128.89

ft9ftft . oZoo 4 5 2 1 1100'\f\ fiJi . 00

.8194 IL 4 4 0 140.11

.8012 2 3 2 3 148.06

49
Iron Chromium Oxide (Chromite), FeCr204

Synonym

Iron chromite

CAS registry no. 12068-77-8

Sample

The sample was prepared from a 1:2 molar

ratio of Fe203 and Cr203 in a controlled

atmosphere furnace. The procedure adopted

from Katsura and Muan (1964) was followed.

Color

Dark reddish brown

Structure

Cubic, Fd3m (227), Z = 8. Isostructural

with spinel, Holgersson (1927).

Lattice constant of this sample

a = 8.3790(2)A

Volume o 588.27 A^

Density

(calculated) 5.055 g/cm^

Polymorphism

Francombe (1958) reports a distorted

tetragonal polymorph that exists below

-90 °C.

Figure of merit

F27 = 87.8(0.009,34)

Additional patterns

PDF card 3-873 (Clark and Ally, 1932)

Holgersson (1927)

Hilty, et al. (1955)

0

CuKa^ A = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4. 08651 A

d(A) jrel hk£ 2e('>) a = ±3

4.839 13 1 1 1 18.32

2.962 33 2 2 0 30.15

2.526 100 3 1 1 35.51

2.418 7 2 2 2 37.15

2 . 0943 22 4 0 0 43. 16

1.7105 11 4 2 2 53.53

1.6125 39 5 1 1 57.07

1.4812 48 4 4 0 62.67

1.4162 2 5 3 1 65.90

1.3247 3 6 2 0 71.11

1.2777 10 5 3 3 74.15

1 .2632 5 6 2 2 75. 15

1.2095 3 4

1H 79.12

1.1734 1 7 1 1 82.06

1.1197 4 6

/. H 86.94

1.0907 12 7 3 1 89.86

1.0476 5 8 0 0 94.67

.9873 2 8 2 2 102.56

.9675 10 7 5 1 105.53

.9612 2 6 6 2 106.53

.9367 2 8 4 0 110.64

.8931 1 6 6 4 119.19

.8783 5 9 3 1 122.58

.8552 12 8 4 4 128.50

.8217 1 10 2 0 139.27

.8101 7 9 5 1 143.95

.8063 IL 10 2 2 145.65

References

Clark, G. L. and Ally, A. (1932). Am.

Mineral. 1_7»

Francombe, M. H. (1958). XVIeme Congr.

internation. Chim. pure appl., Paris, 1957,

Mem. Sect. Chim. Miner., Sedes , Paris, 129.

Hilty, D. C, Forgeng, W. D. , and Folkman,

R. L. (1955). J. Metals, N.Y. 7, 253.

o Holgersson, S. (1927). Lunds Univ. Arsskr.,

Avd. 2, 23, No. 9.

Katsura, T. and Muan, A. (1964). Trans.

AIME 230, 77.

50
Lithium Zirconium Oxide, LlaZrOg

Synonyms

Lithium zirconate

Dilithium zirconium trioxide

CAS registry no. 12031-83-3

Sample

The sample was prepared by L. Martel at NBS.

Equimolar amounts of Li2C03 and Zr02 were

calcined at 700 "C for one day, then heated

to 1000 "C for 16 hours and finally heated to

1400 "C for several hours in a tightly covered

platinum crucible.

Color

Colorless

Structure

Monoclinic, C2/c (15), Z = 4. The structure

was determined by Dittrich and Hoppe (1969)

and redetermined by Hodeau et al. (1982).

Lattice constants of this sample

a = 5.4266(5)A

b = 9.0310(8)

c = 5.4227(7)

p = 112.720(8)°

a/b = 0.6009

c/b = 0.6005

Volume o 245.13 a3

Density

(calculated) 4.148 g/cm^

Figure of merit

F30 = 62.6(0.011,43)

Additional pattern

PDF card 23-372 (Dittrich and Hoppe, 1969)

References

Dittrich, G. and Hoppe, R. R. 0. (1969). Z. Anorg. Allg. Chem. , 371, 306.

Hodeau, J. L. , Marezio, M. , Santoro, A., and

Roth, R. S. (1982). Accepted for publication

in the J. Solid State Chem., October 1982.

CuKa \ = 1.540598 A; temp. 25±1 °C

o Internal standard W, a = 3.16524 A

d(A) l"^^^ hk£ 2e(°) a = ±4

1 Q U z u ly , 00

/, "a 7 "7 •4.611 1 fif\ iUU 11 1 U OA 0 7 ZU . z / jy - 1

11 1 0 0 AA zz . uu DO U z I ZD . Do

2.852 13 1 1 1 31.34

Z . OoUfl 1 0J U

0 C QAM " 1 1 ZQ /. "7 A

" 1

11Q/. z

ouht z AU AU

2.313 19 -2 2 1 38.90

z . ZD on ~z AU z jyOQ . OAyu

z . ZDcsn Au

A Auon Q A oy . yu

0 1 fiOM Z . io^fl 7/ z ZAU H i . z 1 0 1 QQM A Z Z H 1 . Z 1 2.127 46 1 3 1 42.46

i / AU

A 11 HD . OAy** 0 m Q7 z . uiy

/

A

H> ~Z Z z AA ftA z . uu /

1 T ill ~ J. z

Ai; 1

HD . IH

iZ 11 1 z A7 ^'i 1.7952 9 2 2 1 50.82

11 . 77nOM / /uzn CD 1 1 D 1 . Dy

1,1/ uzn 1 J. 0 D 1 > D 7

1 7onn 1 . /ouu A z

A* 1 DZ(^9 ftft

. 00

1 . oyy in ZU X z

Q Q Q 9 Do . y Z 1.6991M 1 5 0 53.92

1 ^ "7 ^ /. 4. 1 A 1 CD 1

f^A 71

1 ^"T^/.J. 1 . 0 /O'fT z HAU DH<^ A 71 . / 1

1 . o'tUon Q 1 AU DOR A . AAuu

1 . OM-Uon 1 0 z DOi;,A

. AAUU

1.6151 13 -2 2 3 56.97

1 .59o9 3i -z z o / . 00

T c ^ /. 0

/ U z

C Q AA

1 . 5481+ j2 -J 3 1 ay . oc

1 c /. 0 1 J_ 1 .5^01+ 1 c3 I jy . OH

1 . 5048 10 0

z:D u Ol .DO

1.5019 13 2 0 2 61.71

1.4998M 10 -3 3 2 61.81

1.4998M -1 5 2 61.81

1.4849 2 -3 1 3 62.50

1.4785 5 2 4 1 62.80

1.4414 IL 0 6 1 64.61

1.4257 1 2 2 2 65.41

1.4081M 3 3 1 1 66.33

1.4081M 1 1 3 66.33

1.3727 5 -2 4 3 68.27

51
Lithium Zirconium Oxide, Li2Zr03 - (continued)

O _rel

a = ±4

VilrO

11 jM-o on CD J

O oo Oy . oU

1 346 3M -4 0 2 69.80

1 3413 4 0 4 3 70.10

1 3268M 8 1 5 2 70.98

1 3268M -1 1 4 70.98

1

Jl J loo 1 T _0 o

11 71 7Q

1 2889M 9 3 3 1 73.40

1 2889M 1 3 3 73.40

1 2867 8 -4 2 1 73.55

1 2766M 1 -3 5 1 74.23

11 ^ / OOLl _ 1i J J

1 2526 15 -2 6 2 75.90

1 2492+ 13 -3 5 2 76.14

1 2492+ 1 7 0 76.14

1 2405 2 -1 7 1 76.77

11 QJQJ

t: J 77 ft7 / / . o / 1 2153 2 -4 2 3 78.67

1 2059 1 4 2 0 79.40

1 1854 2 1 7 1 81.06

1 1814 3 3 1 2 81.39

1L 1 ^i'^9M 1

J. 3J 4

1 1632M -1 7 2 82.94

1 1564M 3 -3 5 3 83.54

1 1564M -4 4 2 83.54

1 1535 4 -4 4 1 83 . 79

1 1521 4 2 2 3 83.92

52
Magnesium Arsenate Hydrate (Hoernesite) , Mg3(As04)2*8H20

Synonym

Magnesium arsenate octahydrate

CAS registry no. 37541-75-6

Sample

A dilute solution of Na2HAs04 was dropped into

a dilute solution of MgS04 with a small amount

of NaOH. The precipitate was left in the mother

liquor for 3 days at about 80 °C. It was then

filtered and washed with ethanol.

Color

Colorless

Structure

Monoclinic, I2/m (12), Z = 2. Isostructural

with vivianite. (Wolfe, 1940) The structure

of vivianite, Fes (PO4) 2 '81120, is discussed by

Mori and Ito (1950).

Lattice constants of this sample

a = 10.137(2)A

b = 13.455(2)

c = 4.7542(10)

p = 101.73(2)°

a/b = 0.7530

c/b = 0.3533

Volume o 634.9 A3

Density

(calculated) 2.589 g/cm^

Figure of merit

F30 = 32.0(0.019,45)

Additional pattern

PDF card 19-752 (Koritnij and Svisse, 1966)

References

Koritnij, S. and Sixsse, P. (1966). Neues

Jahrb. Mineral. Monatsh. 349.

Mori, H. and Ito, T. (1950). Acta

Cirystallogr . 3, 1.

Wolfe, C W. (1940). Am Mineral. 25, 787.

CuKa^ k = 1.540598

0A; temp

25±1 °C

Internal standard Si, a = 5 43088 A

<i(A)

j-rel

hkSL 2e(°) a = ±3

7.97 31 1 1 0 11.09

6.73 100 0 2 0 13. 14

4.399 48 0 1 1 20. 17

3.992 26 2 2 0 22.25

3.916 16 1 0 1 22.69

0 d(A) jrel

0 — Ij

hk£ 26(»)

3.786 17 -1 2 1 23.48

3.655 17 -2 1 1 24.33

J * jO / u u A r>u ZOof. A<;

. 919 JU 0

1 u 07 7^ Z/ . /3

DO n 1 U 1 00 7/. Z9 . /if

2.784 11 2 4 0 32.13

2.740 42 -3 2 1 32.65

9 7 1 A 1 A 1 00 no ^z . yo

9 ^AA 1 A 5 0 U Jo . 01

0

1 0 u

9 A ^9 OH . jZ

2.554 19 1 4 1 35.11

2.480 18 4 0 0 36.19

9 A^ft 05 u 1 JO . 30

Z . 1

-7 1

1 0 Jo . ifZ z

9 1 M

J J in U

c 1 J X Jo . 00

2.331M 4 2 0 38.60

2.295 5 -2 0 2 39.23

9Z . 9AA ZhH cJ U 0 u AnW 'if

. Id

9 9*^0 Z . Z Jo A t J. An . ZDof

9 1 QQM 7/ u0 0 z zA 1 r\o tl . uz

2.199M -2 5 1 41.02

2.170 2 -2 2 2 41.58

9 f\or\ 1 7 1 / "•J 1 9 1 Z tj . ZD

Z9 . nA9 U*f z

A Z D u H** . JZ

Z9 ff^n . VjKj A Z J 1 A A 1^ Q

2.015 7 -1 6 1 44.96

1.992 7 3 4 1 45.50

1 Q^A Q c

1 U M-o . ly

7/ 1

'3 9 J Z AAto AO . 'tZ

11 . Qy1ionAM J. i 9 9 J ZA 7 AO t / . tz

1.916M 0 4 2 47.42

1.882 1 2 2 2 48.32

1i . oHO RAA /.H- J 1 AOly QO . JZ

1 7Q^ 1 . /yo 11 A 1 0 1 3U . 0 1

1 "70 0 n1 3 1 OO . 9Z

1.776 3 0 7 1 51.41

1.730 2 3 1 2 52.88

1 . /UHn cD A 1 U i

1^ Q 7 A

1 7 f\ A M _ rJ A 1 1^ "5 7 A

1 ^QQ 1 . Ooo -I1 J ZA OQ . zy

1.683 11 0 8 0 54.48

1.660 15 3 6 1 55.29

1 . DO / ID 1 1 J J . jy

1 ^ 1 1 . 0 IHU /, c n D 1 DO . OD

1 A 1 /. 1 . 0 1 jl cJ U 0 z DO . yo

1.6071 4 6 2 0 57.28

1.5643M 4 -6 3 1 59.00

"Z 1 1 1 0 oy . uu

1 ^ A 1^ 7 A

1 Q 1 0 1 R Q 7 Q oy . /O

1 A 1 QM A U 1 JQ 7 jy . y /

1.5413M -1 2 3 59.97

1 1^ OQ "7 i. -J 0 5fr\ A 7 1.5204 5 5 4 1 60.88

1.4995 8 -6 0 2 61.82

1.4939 5 -1 7 2 62.08
Magnesium Arsenate Hydrate (Hoernesite) , Mg3(As04)2 •8H2O - (continued)

0 d(A) a = ±3

2e(»)

1.4855 5 -2 3 3 62.47

1 .4659 7 0 3 3 63.40

1 .4502 4 -4 6 2 64. 17

1.4476 4 -4 1 J3 64. 30

1.4305 4 -5 5 2 65.16

1 . 4191 3 -6 5 1 65.75

1 . 3909M 5 -2 9 1 67 .26

1.3909M 3 8 67.26

1.3811 1 5 7 0 67.80

1.3694 2 -6 4 2 68.46

1.3577 4 5 6 1 69.13

1.3516 4 7 3 0 69.49

1.3457 5 0 10 0 69.84

1 . 3440 5 0 5 3 69.94

I

54
Magnesium Phosphate (Farringtoni te). Mg3(P04)2

Synonyms

Magnesium orthophosphate

Trimagnesium blphosphate

CAS registry no. 10043-83-1

Sample

The sample was obtained from the Research

Organic/Inorganic Chemical Corp., Sun Valley,

CA. It was heated at NBS at 800 °C for 18

hours

Color

Colorless

Structure

Monoclinic, P2i/n (14), Z = 2. The structure

of Mg3(P04)3 was determined by Nord and

Kierkegaard (1968).

Lattice constants of this sample

a = 7.5995(8) A

b = 8.2355(8)

c = 5.0762(5)

P = 94.062(9)°

a/b = 0.9228

c/b = 0.6164

Volume o 317.42 A^

Density

(calculated) 2.750 g/cm^

Polymorphism

Berak (1958) suggests a second form of Mg3(P04)2

stable above about 1000 °C.

Figure of merit

F30 = 57.0(0.011,47)

Additional patterns

PDF card 13-554 (Du Fresne and Roy, 1961)

PDF card 25-1373 (Nord and Kierkegaard, 1968)

References

Berak, J. (1958). Rocz. Chem. 32, 19.

Du Fresne, E. R. and Roy, S. K. (1961).

Geochim. Cosmochim. Acta 24, 198.

Nord, A. G. and Kierkegaard, P. (1968). Acta

Chem. Scand. 22, 1466.

0 CuKa^ \ = 1.540598 A; temp

25±1 °C

Internal standard Si, a = 5

0 43088 A

0 d(A)

^rel

I akJL 2e(° a = ±1

5.576 10 1 1 0 15.88

4.356 30 -1 0 1 20.37

4.312 24 0 1 1 20.58

4. 118 30 0 2 0 21.56

4.077 28 1 0 1 21.78

3.852 84 -1 1 1 23.07

3.792 6 2 0 0 23.44

3.657 28 1 1 1 24.32

3.619 6 1 2 0 24.58

3.443 100 2 1 0 25.86

3.195 14 0 2 1 27.90

2.992 21 -1 2 1 29.84

2.896 4 1 2 1 30.85

2.790 16 2 2 0 32.05

2.764 3 2 1 1 32.36

2.533 22 0 0 2 35.41

2.498 23 -2 2 1 35.92

2.414M 32 3 1 0 37.22

2.414M 0 3 1 37.22

2.322 8 -1 3 1 38.75

2.240 5 -3 1 1 40.22

2.222 4 2 3 0 40.57

2.177 3 -2 0 2 41.45

2.158 IL 0 2 2 41.83

2.125 22 3 1 1 42.51

2. 108 9 -1 2 2 42.87

2.0679 10 -2 3 1 43.74

2.0599 8 0 4 0 43.92

2.0417 13 1 2 2 44.33

1.9866 2' 1 4 0 45.63

1.9256 3 -2 2 2 47.16

1.9077 2 0 4 1 47.63

1.8950 7 4 0 0 47.97

1.8597 7 3 3 0 48.94

1.8275 9 2 2 2 49.86

1.8108 IL -3 1 2 50.35

1.7860 3 1 3 2 51.10

1.7753 8 -3 3 1 51 .43

1 . 7224M 7 -2 4 1 53. 13

1 . 7224M 4 2 0 53. 13

1.6976 4 4 1 1 53.97

1.6918M 10 -3 2 2 54.17

1.6918M 3 1 2 54.17

1.6860 IL 2 4 1 54.37

1.6727 IL -1 0 3 54.84

55
Magnesium Phosphate (Farringtonite) , Mg3(P04)2 - (continued)

d(A) a = ±1

2e(»)

1.6394 7 -1 1 3 56.05

1.6094 3 1 5 0 57.19

1.5982 IL 4 2 1 57.63

J. . DO Ly u

o oo 1.5502M IL -1 2 3 59.59

1.5502M 1 4 2 59.59

1.5373 11 -3 3 2 60.14

1.5103M 6 2 5 0 61.33

X 9 Q O 1 1.5026 6 3 4 1 61.68

1.4911 2 5 1 0 62.21

1.4780M 2 -2 2 3 62.82

1.4780M 2 1 3 62.82

1 LftT/M 1X oit 0 1.4674M 4 0 2 63.33

1.4587M 1 -2 5 1 63.75

1.4587M -5 1 1 63.75

1.4488 3 2 4 2 64.24

A 0t.

<; 1X 1 . 4249 1 5 0 1 65.45

1.4043 IL 5 1 1 66.53

1.3947M 1 4 4 0 67.05

1.3947M -5 2 1 67.05

1

•5

.J .J 0 67 87

1.3724M 1 0 6 0 68.29

1.3724M 1 -2 3 3 68.29

1.3638 1 -4 3 2 68.78

1.3509 1 1 6 0 69.53

1 • / yJil 11

•3 w 1.3270M 4 4 1 70.97

1.3181M 1 3 5 1 71.52

1.3181M 2 3 3 71.52

1.2770 IL -5 2 2 74.20

1.2745 3 1 4 3 74.37

1.2513 3 0 1 4 75.99

1.2066+ 1 0 6 2 79.35

1.2066+ -5 3 2 79.35

1.1854 1 1 6 2 81.06

1.1683 1 4 2 3 82.50

1.1582 1 -5 1 3 83.38

56
Manganese Tartrate, C4H,l4Mn06

Sample

The sample was prepared at NBS. It coatained

a very small amount of tartaric acid as a second phase which did not interfere with

measurements

Color

Pale greenish yellow

Structure

Orthorhombic, possibly Pnnm (58), Z assumed

to be 4. The cell constants were determined

by use of the Visser (1969) program. Absent

reflections suggested the space group assignment which was used for the data analysis that

follows

Lattice constants of this sample

a = 9.4388(8)A

b = 11.6925(13)

c = 5.0706(4)

a/b = 0.8073

c/b = 0.4337

Volume o 559.61 A^

Density

(calculated) 2.410 g/cm^, assuming Z = 4.

Figures of merit

F30 = 57.1(0.011,49)

M20 = ^0.5

Additional pattern

PDF card 1-343 (Hanawalt et al., 1938)

References

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Visser, J. W. (1969). J. Appl. Crystallogr.

2, 89.

0 CuKOj K = 1.540598 A; temp

25±1 °C

Internal standard Si, a = 5 430825 A

d(A)

jrel

hkS. 2e(°) a = ±2

7.34 14 1 1 0 12.04

5.843 65 0 2 0 15.15

4.716 12 2 0 0 18.80

4.653 53 0 1 1 19.06

4.467 100 1 0 1 19.86

3.673 57 2 2 0 24.21

3.604 20 1 3 0 24.68

3.549 98 1 2 1 25.07

3.313 18 2 1 1 26.89

3.092 3 0 3 1 28.85

0 d(A) ^rel

a = ±2

hkS. 2e(°

3.008 IL 2 3 0 29.68

2.923 8 0 4 0 30.56

2.794 IL 1 4 0 32.01

2.673 27 3 0 1 33.50

2.585 49 2 3 1 34.67

2.536 4 0 0 2 35.36

2.485 16 2 4 0 36. 12

2 . 446M 72 3 3 0 36.71

2 . 446M 1 4 1 36.71

2.430 31 3 2 1 36.96

2.398 5 1 1 2 37.48

2.359 IL 4 0 0 38. 12

2.327 2 0 2 2 38.66

2.270 11 1 5 0 39.68

2.233M 16 2 0 2 40.36

2.233M 2 4 1 40.36

2.188 5 4 2 0 41.23

2.124 3 0 5 1 42.52

2.105 10 4 1 1 42.94

2.086 29 2 2 2 43.34

2.0733M 14 1 3 2 43.62

2.0733M 1 5 1 43.62

1.9727 8 3 4 1 45.97

1.9466 13 3 1 2 46.62

1.9361 19 2 5 1 46.89

1.9153 14 0 4 2 47.43

1.8755M 12 3 5 0 48.50

1.8755M 4 3 1 48.50

1.8361 7 4 4 0 49.61

1.7857 1 1 6 1 51.11

1.7744 3 2 4 2 51.46

1.7699 3 5 0 1 51.60

1.7606M 6 3 3 2 51.89

1.7606M 3 5 1 51.89

1.7273M 16 4 0 2 52.97

1.7273M 4 4 1 52.97

1.6985 10 5 3 0 53.94

1.6927 14 5 2 1 54. 14

1.6638 3 1 0 3 55. 16

1 . 6563M 4 3 6 0 55.43

1 .6563M 4 2 2 55.43

1 . 6446 8 1 7 0 55.86

1.6000 7 1 2 3 57.56

1.5861M 7 0 7 1 58. 11

1.5861M 5 4 0 58. 11

1.5780 6 4 5 1 58.44

1.5735 5 6 0 0 58.62

1.5509 2 0 3 3 59.56

1.5450 IL 0 6 2 59.81

1.5191 4 6 2 0 60.94

57
Manganese Tartrate, C4H4Mn06 - (continued)

d(A) jrel

a = ±2

hk£ 2e(»)

1.5128 7 5 4 1 61.22

1.5090 8 3 5 2 61.39

1.5037 6 2 7 1 61.63

2 62.24

1.4891 3 3 0 3 62.30

1.4732 5 2 3 3 63.05

1.4688M 4 5 5 0 63.26

1.4688M 2 6 2 63.26

1 . 4460 4 1 4 •J 64. 38

1.4021 3 6 3 1 66.65

1.3887M 3 4 5 2 67.38

1.3887M 1 8 1 67.38

1.3852 2 6 4 0 67.57

1 . 3697 2 0 5 •J 68.44

1.3396 2 7 1 0 70.20

1 . 3265 IL 3 4 3 71.00

1.3160M 5 4 7 1 71.65

1.3160M 2 5 3 71.65

1 3033M 7 0 1 72.46

1.3033M 6 2 2 72.46

1.2927 IL 4 6 2 73.15

1.2870 IL 1 9 0 73.53

1.2746M 7 3 7 2 74.36

1 .2746M 7 3 0 74.36

1.2711 4 5 5 2 74.60

1.2675 3 0 0 4 74.85

1 . 2642M 2 6 3 2 75.08

1 . 2642M 6 5 1 75.08

1.2589M 4 5 0 3 75.45

1 . 2589M 0 9 1 75.45

1.2388 2 0 2 4 76.90

1 . 2308 3 5 2 3 77.49

1.2155M 3 2 9 1 78.65

1.2155M 6 4 2 78.65

58
Molybdenum

CAS registry no. 12033-40-8

Sample

Stoichiometric amounts of Mo and Si3N4 were

mixed, pelleted and heated in a crucible to

1600 °C for 1 hour while lying on a pellet

of previously made MosSis which was put on

a piece of Mo.

Color

Olive black

Structure

Tetragonal I4/mcm (140), Z = 4. The structure was determined qualitatively by

Aronsson (1955).

Lattice constants of this sample

a = 9.6483(6) A

c = 4.9135(5)

c/a = 0.5093

Volume o 457.40 A^

Density

(calculated) 8.190 g/cm^

Figure of merit

F30 = 98.6(0.009,35)

Additional patterns

PDF card 8-429 (Schachner et al. 1954)

Nowotny et al. (1956)

References

Aronsson, B. (1955). Acta Chem. Scand.

9, 1107.

Nowotny, H. , Lux, B., and Kudielka, H. (1956) Monatsh. Chem. 87, 462.

Schachner, H. , Cerwenka, E., and Nowotny,

H. (1954). Monatsh. Chem. 85, 245.

Silicide.MosSi's

0 CuKOj A. = 1.540598 A; temp

25±1 °C

T n t" A T*n 1 w a = 3 1 6S?^

0

A

0 rel

hkJi

0 = ±2

6 820 1±

1 1 0 1X ^9 * Q77 / 4.826 2 2 0 0 18.37

3.413 5 2 2 0 26.09

3.242 25 2 1 1 27.49

3.052 21 3 1 0 29.24

? 457 n 0 2 2.412 16 4 0 0 37.25

2.351 71 3 2 1 38.26

2.311 12 1 1 2 38.94

2.2740 10 3 3 0 39.60

00 0 0 2 *+ X . X 0

2.1578 59 4 2 0 41.83

2.1130 100 4 1 1 42.76

1.9940 57 2 2 2 45.45

1.7955 2 4 3 1 50.81

1 790Q 0 A 0 2 JO . xo 1.6835 8 5 2 1 54.46

1.6544 1 5 3 0 55.50

1.6087 2 6 0 0 57.22

1.5314 4 2 1 3 60.40

1 5254 10 2 0 60 66

1.5103 IL 6 1 1 61.33

1.4991 11 5 1 2 61.84

1 . 4406 11 5 4 1 64.65

1.4012 11 4 4 2 66.70

1 3971 1

2 3 66 92

1.3804 12 6 3 1 67.84

1.3724 11 5 3 2 68.29

1.3643 17 7 1 0 68.75

1.3453 24 6 0 2 69.86

1X » -j^ ±0R JO A 1 3 70 07

1.2797 2 7 2 1 74.02

1.2283 9 0 0 4 77.68

1.2086M 2 1 1 4 79.19

1.2086M 5 2 3 79.19

1 1 Q7Q 1 5 1 80 0^

1.1932 6 7 1 2 80.42

1.1751 11 6 4 2 81.92

1.1698 10 8 2 0 82.37

1.1631 2 7 4 1 82.95

1L , 1ijyTQ1Mxii 3 •3 1 4 8"^ 10

1.1391M 6 1 3 85.10

1.1369 8 6 6 0 85.30

1.1259 4 7 3 2 86.34

1.1087 4 5 4 3 88.02

1.1004 11 8 3 1 88.86

1.0945 4 4 0 4 89.46

59
Nickel Arsenate Hydrate (Annabergite) , Ni3(As04)2 •8H2O

Synonym

Nickel orthoarsenate octahydrate

CAS registry no. 54469-74-1

Sample

The sample was prepared at NBS. A solution

of 2 gms Ni(N03)2*6H20 in 1 liter H2O was added dropwise to a solution of 2 gms

Na2HAs04 in lit liters of warm H2O. The

combined solution was held at 70 to 80 °C

for 3 weeks. The crystals were filtered

off and washed with H2O and C2H5OH.

Color

Light yellow green

Structure

Monoclinic, I2/m (12), Z = 2 (Barth, 1937).

It is isostructural with vivianite,

Fe3(P04)2*8H20. The structure of vivianite

was discussed by Mori and Ito (1950).

lattice constants of this sample

a = 10.054(2) A

b = 13.303(3)

c = 4.7159(10)

p = 102.10(2)°

a/b = 0.7558

c/b = 0.3545

Volume o 616.73 A^

Density

(calculated) 3.221 g/cm^

Figure of merit

F30 = 55.6(0.012,44)

Additional pattern

PDF card 11-625 (U.S. Bureau of Mines,

Albany, Oregon)

References

Barth, T. F. W. (1937). Am. Mineral.

22, 325.

Mori, H. and Ito, T. (1950). Acta

Crystallogr. 3, 1.

CuKOj \ = 1.540598 A; temp. 25±1 °C

Internal std. Fluorophlogopite SRM 675

0 d(A) jrei rel

a = ±1

hkA 2e(<»)

7.91 33 1 1 0 11.17

6.66 100 0 2 0 13.29

4 Q1Q 1

X X 2 0 0 18 . 02

4 S62 4 -1 0 19 44

20 0 1 1 20.34

4.044 6 1 3 0 21.96

3.954 8 2 2 0 22.47

3.879 16 1 0 1 22.91

3.765 3 -1 2 1 23.61

g -2 1 1 24.44

3.347 5 1 2 1 26.61

3.326 4 0 4 0 26.78

3 198 43 0 3 1 27.88

2 . 982M 52 -3 0 1 29 .94

2 . 982M 2 1 1 29.94

2.756 12 2 4 0 32.46

2.721 30 -3 2 1 32.89

2.687 21 -1 4 1 33.32

2 635 14 3 3 0 34.00

2.568 1 1 5 0 34.91

2.523 8 1 4 1 35.55

2.440 17 3 0 1 36.80

10 -1 1 2 38.76

9 ^04M 16 4 2 0 39.07

9 ?04M 0 5 1 39.07

2.217 3 0 6 0 40.66

2.178M 8 0 2 2 41.43

^9 . 1X 7RM / oil -2 5 1 41 .43

9 1 i'^ -2 2 2 41 .89

9 1 09 1X -4 3 1 43.00

2.079 7 -3 1 2 43.49

2.066 8 3 5 0 43.79

9 n9i 1X 2 6 0 44.80

1 QQI q 0 -1 6 1 45.50

X . 7U /

3 4 1 46.09

1X.JQ46'^ tvj 5 5 1 0 46.63

1.9322 6 1 3 2 46.99

1.9006 9 -3 3 2 47.82

1.8240 3 4 3 1 49.96

1.7756 2 -4 5 1 51.42

1.7572 3 0 7 1 52.00

1.6915 1 -5 4 1 54.18

1.6713 8 1 5 2 54.89

1.6629 10 0 8 0 55.19

1.6505 11 -3 5 2 55.64

60
Nickel Arsenate Hydrate (Annaberglte), Nl3(As04)2*8H20 - (continued)

0 rel

a = ±1

hIrO uKJb

1.6405 11 3 6 1 56.01

1 • OUDO ** J

Q 3 / . JU

1.6002 5 4 5 1 57.55

1.5909 4 6 2 0 57.92

1.5807 2 5 5 0 58.33

1.5519M 2 -2 1 3 59.52

~o o1 1.5281M 3 1 8 1 60.54

1.5281M -1 2 3 60.54

1.5191 2 -3 0 3 60.94

1.5028 3 5 4 1 61.67

1.4902 5 4 2 2 62.25

1.4791 4 -1 7 2 62.77

61
Nickel Molybdenum Oxide, NiMo04

Synonyms

Molybdenum nickel tetraoxide

Nickel molybdate

Sample

The sample was prepared at NBS. Stoichiometric amounts of NiO and M0O3 were heated

at 800 "C for 2 hours, then ground and re- heated at 800 °C for 6 hours.

Color

Brilliant yellow green

Structure

Monoclinic, I2/m (12), Z = 8, isostructural

with low temperature C0M0O4 (Smith, 1962).

Lattice constants of this sample

a = 9.509(2)A

b = 8.759(2)

c = 7.6678(15)

P = 113.13(2)°

a/b = 1.0856

c/b = 0.8754

Volume g 587.3 A3

Density

(calculated) 4.946 g/cm^

Polymorphism

Sleight and Chamberland (1968) report 3 polymorphs. The one described here occurs at low

temperature when the heated reactants are cooled slowly. A second polymorph exists

only at temperatures above 690 °C, and is

isostructural with MnMo04. A third polymorph,

isostructural with NiW04, can be prepared

hydrothermally at 700 °C with pressures above

3 kbars

Figure of merit

F30 = 27.7(0.017,63)

Additional patterns

PDF card 18-879 (Wetzlar, DEW-Technische

Berichte, 1964)

PDF card 31-902 (Union Science and Technology

Division, Union Oil Co. of California, Brea,

CA 92621)

References

Sleight, A. W. and Chamberland, B. L. (1968).

Inorg. Chem. 7, 1672.

Smith, G. W. (1962). Acta Crystallogr. 15,

1054.

0 CuKofj \ = 1.540598 A; temp. 25±1 °C

Internal standard W, a 3.16524

0A

0 d(A) ,rel

I hk£ 2e(°)

0 = ±2

6.19 80 1 1 0 14.29

5.50 4 0 1 1 16.11

4.665 11 1 0 1 19.01

4.373M 1 0 z 0 20.29

4.373M 2 0 0 20.29

4.085 3 -2 1 1 21.74

3.711 15 -1 2 1 23.96

3.513 48 -1 1 2 25.33

3.166 5 -3 0 1 28.16

3.095 100 2 2 0 28.82

3.002 2 2 1 1 29.74

2.769M 15 1 3 0 32.31

2 . 769M 3 1 0 32.31

2.746 46 0 2 2 32.58

2.727 36 -3 1 2 32.82

2.465 IL -2 3 1 36.42

2.331M 8 2 0 2 38.59

2.331M -3 0 3 38.59

2.323 10 -1 J 38.74

2.307 4 -4 0 2 39.01

2.284 1 -4 I 1 39.42

2. 188M 14 0 4 0 41.23

2.188M 4 0 0 41.23

2.154 IL 2 3

11 41.90

2.094 5 3 2 1 43.17

2.090 5 -1 4 1 43.26

2.062 45 3 3 0 43.87

1.998 1 -4 1 3 45.36

1.982 3 1

/.H 1 45.74

1.957M 4 2 4 0 46.37

1.957M 4 2 0 46.37

1.916 24 -2 0 4 47.40

1.847M 1 -5 1 2 49.30

1 . 847M 4 1 1 49.30

1.836 3 -1 1 4 49.60

1.828 2 -3 1 4 49.85

1.801 2 -3 4 1 50.63

1.759 IL 2 1 3 51.94

1.727 2 -5 2 1 52.98

1.716 10 5 1 0 53.34

62
Nickel Molybdenum Oxide, NIM0O4 - (continued)

0

X a = ±2

hlc£

1.7002 1 0 5 1 53.88

1.6789 IL -4 3 3 54.62

1.6560 IL -1 4 3 55.44

1.6456 1 -5 2 3 55.82

1.6357 9 0 2 4 56.19

1.6232 9 -4 2 4 56.66

1.5969+ 11 3 3 2 57.68

1.5969+ 2 4 2 57.68

1.5869H 9 -5 3 2 58.08

1.5869H 4 3 1 58.08

1.5602 IL 5 0 1 59.17

1.5472 1 4 4 0 59.72

1.5295M IL 2 3 3 60.48

1.5295M -6 1 1 60.48

1.4991 13 1 5 2 61.84

1.4954 10 -3 5 2 62.01

1.4900 8 -6 2 2 62.26

1.4583 5 -4 1 5 63.77

1.4418H 3 -2 4 4 64.59

1.4418M -3 2 5 64.59

1.4394 2 -2 5 3 64.71

1.4293 1 -1 6 1 65.22

1.4094 8 1 3 4 66.26

1.3982M 6 -5 0 5 66.86

1.3982M -5 3 4 66.86

1.3834 1 6 2 0 67.67

1.3711 IL -6 3 1 68.36

63
Nickel Phosphate Hydrate, Ni3(P04)2-8H20

Synonym

Nickel orthophosphate octahydrate

CAS registry no. 19033-89-7

Sample

The sample was made by adding a dilute

solution of Na2HP04 to dilute solution of

NiS04 to which a small amount of NaOH had

been added.

Color

Very light yellowish green.

Structure'

Monoclinic, I2/m (12), Z = 2. Vivianite

structure, from the similarity of cell size,

space group and chemistry. The structure of

vivianite, Fe3(P04)2*8H20, is discussed by

Mori and Ito (1950)

Lattice constants of this sample

a = 9.846(4) A

b = 13.203(4)

c = 4.6342(15)

P = 102.27(3)°

a/b = 0.7457

c/b = 0.3510

Volume o 588.67 A3

Density

(calculated) 2.878 g/cm^

Figure of merit

F30 = 31.9(0.016,58)

Additional pattern

PDF card 1-0126 (Hanawalt et al., 1938).

References

Hanawalt, J. D. , Rinn, H. W. and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Mori, H. and Ito, T. (1950). Acta Crystallogr.

3, 1.

0 CuKOj X = 1.540598 A; temp. 25±1

standard Ag, a = 4 08651

0A

0 jrei hk£ a = ±3

7 77 36 1 1 0 X J. . JO

6.62 100 0 2 0 13.36

4.808 ox 0Z 0 0 18.44

4.480 32 -1 0 1 19.80

4.277 10 0 1 1 20.75

20 1 3 0 22 1

. X

3.799 50 1 0 1 23.40

3.576 Q0 1 1 24.88

3.297 2 0 4 0 27.02

3.159 33 0 3 1 28.23

2 924 72 -3 0 1 2.722 6 2 4 0 32.88

2.675 Aft J 2 1 33.47

2.657 35 -1 4 1 33.71

2.591 10 3 3 0 34.59

2 S48 2 1 5 0 ^5 19

2.491 19 1 4 1 36.03

2.389 97 J 0 1 37.62

2.283M 17 -1 1 2 39.44

2 . 283M 0 5 1 39.44

2 -2 0 2 40 . 20

2.189 18 -3 4 1 41.20

2.153 1 A z 5 1 41.93

2.122 5 -2 2 2 42.56

2.079 3 1 1 2 43.49

^9 . n^Q yjjy 11 3 5 0 44 39

1.975 1 -1 6 1 45.92

1.938 3 4 1 1 46.83

1.901 19 1 3 2 47.81

1.872 6 -3 3 2 48.61

1.857 5 -4 0 2 49.01

1.789 3 4 3 1 51.00

1.6503M 5 0 8 0 55.65

1.6503M 5 0 1 55.65

64
Nickel Sulfate Hydrate (Nickel-hexahydrite) , p-NiS04-6H20

Synonym

Nickel sulfate hexahydrate

CAS registry no. 10101-97-0

Sample

The sample was prepared by slow evaporation

from a solution of nickel sulfate in an aqueous

solution of H3PO4.

Color

Strong green

Structure

Monoclinic, A2/a (15), Z = 8. Isostructural

with other divalent hexahydrate sulfates

(Sutor, 1959). The structure of MgS04-6H20

was discussed by Ide (1938).

Lattice constants of this sample

a = 24.188(5)A

b = 7.2410(14)

c = 9.895(2)

p = 98.41(2)°

a/b = 3.3404

c/b = 1.3665

Volume o 1714.4 A3

Density

(calculated) 2.037 g/cm^

Polymorphism

NiS04*6H20 also occurs in a tetragonal form

as the mineral retgersite.

Figure of merit

F30 = 52.3(0.013,45)

Additional patterns

PDF card 18-891 (Oleinikov et al., 1965)

PDF card 26-1288 (Nawaz, 1973)

References

Ide, K. H. (1938). Naturwissenschaften, 26,

411.

Nawaz, R. (1973). Mineral. Mag. 39, 246.

Oleinikov, B. V., Shvartsev, S. L.

,

Mandrikova, N. T., and Oleinikova, N. N. (1965). Zap. Vses. Mineral, 0-Va. 94, 534.

Sutor, D. J. (1959). Acta Crystallogr. 12,

72.

o CuKflj \ = 1.540598 A; temp

25±1 "C

Internal standard Si, a = 5

0

.43088 A

0

^ / A \ d(A) ^rel

I 2e(°) a = ±3

5.98 5 4 0 0 14.80

5.824 20 0 1 1 15.20

5.538 6 1 1 1 15.99

5.424 21 -2 1 1 16.33

5.061 21 2 X

1X 17.51

4 . 900M 51 -3 1 1 18.09

4.900M 0 0 2 18.09

4.782 24 -2 0 2 18.54

4.519 6 3 1 1 19.63

4.367 100 -4 11 X 20.32

4.314 21 2 0 2 20.57

4.096 22 -4 0 2 21.68

4.003 60 4 1 1 22.19

3.865 4 -5 1 1 22.99

3.625 14 0

nU 24.54

3.576 9 1 2 0 24.88

3.544M 20 5 1 1 25.11

3.544M 4 0 2 25.11

3.466 3 2 2 0 25.68

3.432 8 -6 1X X 25.94

3.340 8 -6 0 2 26.67

3.162 7 6 1 1 28.20

3.068 2 -7 1 1 29.08

3.001 6 -1 1 3 29.75

2.992 11 8

AU 29.84

2.979 17 -2 1 3 29.97

2.916M 26 -1 2 2 30.63

2.916M -3 1 3 30.63

2 . 890M 38 6 0 2 30.92

2 . 890M 5 AU 30.92

2.860 1 1 2 2 31 .25

2.818 8 -4 1 3 31.73

2.801 1 2 1 3 31.92

2.774 9 2 2 2 32.25

2.737 2 -8 nU 9 32.69

2.711 IL -4 2 2 33.02

2.690 5 -5 1 3 33.28

2.681 5 6 2 0 33.39

2.660 5 3 2 2 33.66

2.588 IL -5 2 2 34.63

2.570 9 8 1 1 34.88

2.553 2 -6 1 3 35.12

2.471 12 -2 0 4 36,33

2.454 3 -6 2 2 36.59

2.408 2 -7 1 3 37.31

65
Nickel Sulfate Hydrate (Nickel-hexahydrite) , p-NiS04- 6H2O - (continued)

d(A) jrel

a = +3

hkS. 2e(°)

2 . 392M 3 10 0 0 37.57

2.392M -4 0 4 37.57

2 . 342+ 1 0 3 1 38.41

2 . 342+ 9 1 1 38.41

2.331 1 2 0 4 38.59

2.306 5 8 2 0 39.03

2.285+ 4 -10 0 2 39.41

2.285+ 2 3 1 39.41

2.272 13 -3 3 1 39.64

2.246 5 6 1 3 40. 12

2.229 2 3 3 1 40.44

2.209 5 -4 3 1 40.82

2.183 3 -8 2 2 41.32

2.157M 3 4 0 4 41.85

2. 157M 4 3 1 41.85

2.135 1 -5 3 1 42.30

2.098 IL -11 1 1 43.08

2.076 1 5 3 1 43.57

2 . 052M 4 -9 2 2 44.09

2.052M -6 3 1 44.09

2.047 3 -8 0 4 44.22

2.041M 2 -1 2 4 44.35

2.041M -2 2 4 44.35

2.028 3 0 2 4 44.64

1.995M 7 -4 2 4 45.43

1.995M 12 0 0 45.43

1.990 10 6 3 1 45.55

1.981M 12 11 1 1 45.76

1.981M 8 1 3 45.76

1.954 5 -5 2 4 46.43

1.9199 3 1 3 3 47.31

1.9092 5 -2 1 5 47.59

1.8901M 7 0 1 5 48.10

1.8901M 2 3 3 48.10

1.8791M 4 -4 1 5 48.40

1.8791M -11 1 3 48.40

1.8769 4 -8 3 1 48.46

1.8536 14 4 2 4 49.11

1.8378 4 12 1 1 49.56

66
Niobium, Nb

Synonym

Columbium

CAS registry no. 7440-03-1

Sample

The sample was obtained from Fansteel

Products Co., N. Chicago, IL.

Color

Dark gray

Structure

Cubic, Im3m, Z = 2. The structure was determined by McLennan and Monkman (1929),

Hagg (1930), and others.

Lattice constant of this sample

a = 3.30332(13)A

Volume o 36.046 A3

Density

(calculated) 8.560 g/cm^

Figure of merit

Fg = 102.8(0.010,8)

Additional patterns

PDF card 16-1 (Hanawalt et al., 1938)

Nadler and Kempter (1959)

References

Hagg, G. (1930). Z. Phys. Chem. B 11, 433.

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

McLennan, J. C. and Monkman, R. J. (1929).

Trans. R. Soc. Can. Sec. 3 23, 255.

Nadler, M. R. and Kempter, C. P. (1959).

Anal. Chem. 31 1922.

o CuKOj K = 1.540598 A; temp. 25±1 °C

Internal standard W, a 3.16524

oA

o d(A) T^el

I hk£ 26('')

a = ±1

2.336 100 1 I U 38.51

1.6519 18 2 0 0 55.59

1.3484 28 2 1 1 69.68

1.1678 8 2 2 0 82.54

1.0446 11 3 1 0 95.02

.9535 3 2 2 2 107.78

.8830 13 3 2 1 121.48

.8258 2 4 0 0 137.74

67
Potassium Barium Phosphate, KBaPO,

Synonym

Potassium barium orthophosphate

CAS registry no. 25640-29-3

Sample

The sample was made by heating a 1:1 molar

mixture of Ba(0H)2 and KH2PO4 at 750 "C

for 2 days, regrinding and heating to 900 °C

for 1 hour.

Color . Colorless

Structure

Orthorhombic, Pnam (62), Z = 4. (Struck

and White, 1962). Isostructural with

P-K2SO4, arcanite.

Lattice constants of this sample

a = 7.7084(5) A

b = 9.9783(8)

c = 5.6649(5)

a/b = 0.7725

c/b = 0.5677

Volume o 435.73 A3

Density

(calculated) 4.137 g/cm^

Polymorphism

KBaP04 is reported to have a high temperature form which is hexagonal (Klement and

Uffelmann, 1941). This is questioned by

Struck and White (1962).

Figure of merit

F30 = 111.6(0.008,35)

Additional patterns

PDF card 14-229 (Struck and White, 1962)

Wanmaker and Spier (1962)

Majling, et al. (1979) calculated pattern

References

Klement, R. and Uffelmann, R. (1941).

Naturwissenschaften 29, 300.

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

Patterns for Anhydrous Phosphates (Veda,

Bratislova, Czechoslovakia.)

Struck, C. W. and White, J. (1962). Acta

Crystallogr. 15, 290.

Wanmaker, W. L. and Spier, H. L. (1962). J.

Electrochem. Soc. 109, 109.

CuKa K = 1.540598 A; temp. 25±1 "C

Internal standard Si, a = 5.430825 A

d(A) l"^ hk£ 2e(») o = ±2

6.100 8 1 1 0 14.51

4.990 18 0 2 0 17.76

4.927 33 0 1 1 17.99

A 11 9 u 4.153 3 1 1 1 21.38

3.854 6 2 0 0 23.06

3.594 4 2 1 0 24.75

3.368 40 1 2 1 26.44

J^ . 1xooR(\ a 0 1X 97 Oft 3.052M 94 1 3 0 29.24

3.052M 2 2 0 29.24

3.036 100 2 1 1 29.40

2.868 41 0 3 1 31.16

A, . 0 jy

2 . 685M 4 1 3 1 33.34

2.685M 2 2 1 33.34

2.569 6 1 1 2 34.90

2.518 4 2 3 0 35.63

^ . vOO 1

Q

•» 1 Av 2.463 2 0 2 2 36.45

2.3732 2 1 4 0 37.88

2.3464 3 1 2 2 38.33

2.3008 5 2 3 1 39.12

0 4S

2.2823M 2 0 2 39.45

2.2768 13 3 1 1 39.55

2.2250 7 2 1 2 40.51

2.1888 33 1 4 1 41.21

0 11 ft7 Z . 1 io

/

J

1X 42 64

2.0939 4 2 4 0 43.17

2.0765M 54 1 3 2 43.55

2.0765M 2 2 2 43.55

2.0335 15 3 3 0 44.52

1.9646 IL 2 4 1 46.17

1.9318 14 1 5 0 47.00

1.9271 14 4 0 0 47.12

1.9134 IL 3 3 1 47.48

1.8817M 4 0 5 1 48.33

1.8817M 2 3 2 48.33

1.8693 7 3 1 2 48.67

1.8557 4 0 1 3 49.05

1.8237 IL 4 0 1 49.97

1.7942 16 4 1 1 50.85

1.7724 IL 2 5 0 51.52

1.7218 5 1 2 3 53.15

68
Potassium Barium Phosphate, KBaP04 - (continued)

o

J / A ^ d(A)

^rel

a = ±2

1- 1_ A 2e(°;

1.7067 19 3 4 1 53.66

1 .6719 12 2 1 3 54.87

1.6516 6 3 3 2 55.60

1.6424 6 0 3 3 55.94

1.6000 7 4 3 1 57.56

1.5962 17 1 5 2 57.71

1 .5929 11 4 0 2 57.84

1.5765 2 3 5 0 58.50

1.5626 7 1 6 1 59.07

1.5268 7 2 6 0 60.60

1.5182 1 4 2 2 60.98

\.ktllb 9 1 4 3 62.84

1.4738 9 2 6 1 63.02

1.4554 1 3 2 3 63.91

1.4368 1 4 3 2 64.84

1.4255 3 5 2 1 65.42

1 . 4164 5 0 0 4 65.89

1.4017 2 1 7 0 66.67

1.3984 3 5 3 0 66.85

1.3823 6 0 7 1 67.73

1.3789 5 1 1 4 67.92

1 . 3770 1 3 5 2 68 . 03

1.3555 4 3 6 1 69.26

1.3442 4 2 6 2 69.93

1.3368M 4 2 7 0 70.37

1.3368M 4 1 3 70.37

1 . 3069 2 5 2 2 72.23

1.3015M 5 4 2 3 72.58

1.3015M 2 7 1 72.58

1.2992 2 3 4 3 72.73

1.2850M 7 1 3 4 73.66

1 . 2850M 6 0 0 73.66

\.ini 4 5 4 1 74.15

1 . 2564 5 1 7 2 75.63

1.2544 2 5 3 2 75.77

1.2431 4 6 1 1 76.58

1 .2321n 4 1 6 3 77 . 39

1.2321M 0 4 4 77.39

1 . 2202 1 5 5 0 78.29

1.2173 1 3 7 1 78.51

1.1929 2 5 5 1 80.44

1 . 1868n 1 2 8 0 80.94

1 . 1868M 4 4 3 80.94

1.1728M 1 2 4 4 82.11

1.1728M 6 3 1 82.11

1.1703 2 6 0 2 82.33

1 . 1624M 2 k•J 4 83 . 01

1 . 1624M 6 1 2 83.01

69
Potassium Calcium Phosphate, KCaP04

Synonym

Potassium calcium orthophosphate

CAS registry no. 18901-69-4

Sample

The sample was made at NBS by heating

equimolar amounts of CaCOq and KH2PO4 at

800 °C over night, reground, heated to 900° over night and then at 1100 °C for 1 hour.

Color

Colorless

Structure

Hexagonal, P3ml (164), Z = 2. (Bredig, 1941)

Isostructural with aphthitalite , (K,Na)3Na(S04)2

The structure of aphthitalite was determined

by Gossner (1928).

Lattice constants of this sample

a = 5.5085(4)A

c = 7.5020(8)

c/a = 1.3619

Volume o 197.14 A^

Density

(calculated) 2.934 g/cm^

Polymorphism

There are several other forms of KCaP04

(Znamierowska , 1979). Bredig (1941) refers to

the present form as a.

Figure of merit

F27 = 38.1(0.011,65)

Additional patterns

PDF card 3-619 (Bredig, 1942)

Wanmaker and Spier (1962)

References

Bredig, J. (1941). J. Am. Chem. Soc. 63,

2533.

Bredig, J. (1942). J. Phys. Chem. 46, 747.

Gossner (1928). Neues. Jahrb. Mineral. Geol.

Palaeontol. Abh. Abt. A, 57, 89.

Wanmaker, W. L. and Spier, H. L. (1962). J.

Electrochem. Soc. 109, 109.

Znamierowska, T. (1979). Pol. J. Chem. 53,

1415.

0

l>UJVu^ A — i.OHUoyo A; temp. +1 or* ZOXl L Internal standard Si. a = 5.

0 430825 A

d(A) jrel hkH a = ±1

4.024 8 1 0 1 22.07

3.750 12 0 0 2 23.71

2.949 100 1 0 2 30.28

2.754 100 1 1 0 32.49

2.386 2 2 0 0 37.67

2.272 17 2 0 1 39.64

2.0125 39 2 0 2 45.01

1.8762 6 0 0 4 48.48

1.8038 2 2 1 0 50.56

1 . 7450 3 1 0 4 52.39

1 . 7255 2 2 0 3 53.03

1.6251 14 2 1 2 56.59

1.5906 12 3 0 0 57.93

1.5497 12 1 1 4 59.61

1.4643 IL 3 0 2 63.48

1 .3770 9 2 2 0 68.03

1.2929 1 2 2 2 73.14

1.2478 4 3 1 2 76.24

1.2128 3 3 0 4 78.86

1.2097 2 1 0 6 79.10

1.1365 1 4 0 2 85.34

1.1101 1 2 2 4 87.88

1.1073 1 2 0 6 88.16

1.0507 1 3 2 2 94.30

1.0410 2 4 1 0 95.46

1.0275 IL 2 1 6 97.13

1.0030 IL 4 1 2 100.35

-1)

7Q
Potassium Strontium Phosphate, KSrP04

Synonym

Potassium strontium orthophosphate

CAS registry no. 53201-92-6

Sample

The sample was made at NBS by heating equilmolar amounts of KH2PO4 and SrCOg at 900 °C

for 1 hour; it was reground and heated to

1250 °C for 1 hour.

Color

Colorless

Structure

Orthorhombic, Pnam (62), Z = 4. Isostructural with arcanite, 3-K2S04. (Klement

and Kresse, 1961) The structure of arcanite

was determined by Robinson, (1958). This

phase of KSrP04 can also be indexed on a hexagonal cell with a = 11.124 and c = 7.350, this being similar to the high form

of K2SO4, but with a doubled a.

Lattice constants of this sample

a = 7.3507(7) A

b = 9.6340(9)

c = 5.5621(6)

a/b = 0.7630

c/b = 0.5773

Volume o 393.89 a3

Density

(calculated) 3.738 g/cm^

Polymorphism

KSrP04 is reported to have several other

forms (Klement and Uffelmann, 1941).

Figure of merit

F30 = 82.0(0.008,45)

Additional patterns

PDF card 14-40 (Klement and Kresse, 1961)

Wanmaker and Spier, 1962

References

Klement, R. and Kresse, P. (1961). Z. Anorg.

Allg. Chem. 310, 62.

Klement, R. and Uffelmann, R. (1941).

Naturwissenschaften 29, 300.

Robinson, M. T. (1958). J. Phys. Chem.

62, 925.

Wanmaker, W. L. and Spier, H. L. (1962). J. Electrochem. Soc. 109, 109.

0 CuKOj \ = 1.540598 A; temp

25±1 "C 1 Siox

,

a - 5

0

0 drA"» rel

X hk£ a = ±1

D . OJyj 1± 1 0 IS 17

4.813M 19 0 2 0 18.42

4.813M 0 1 1 18.42

4.028M 8 1 2 0 22.05

4.028M 1 1 1 22.05

J • tJ J 2 2 1 0 25 93

3.263 27 1 2 1 27.31

3.066 5 2 0 1 29.10

2.943 32 1 3 0 30.35

2.922M 100 2 2 0 30.57

2 . 922M 2 1 1 30 S7

2.780M 93 0 3 1 32.17

2.780M 0 0 2 32.17

2.587 3 2 2 1 34.65

2.512 4 1 1 2 35.72

2.418 B 2 3 0 37 15

2.4107M 5 0 4 0 21.

2.4107M 0 2 2 37.27

2.3744 19 3 1 0 37.86

2.2890M 10 1 4 0 39.33

2 . 2890M 1X 2 2 39 33

2.2177M 10 2 3 1 40.65

2.2177M 2 0 2 40.65

2.1843M 6 3 2 0 41.30

2.1843M 3 1 1 41.30

7 2 1 2 41 76

2.1168 24 1 4 1 42.68

2.0330 6 3 2 1 44.53

2.0214 22 1 3 2 44.80

2.0150M 36 2 4 0 44.95

2 2 2 44 9S

1.9478 9 3 3 0 46.59

1.8942 1 2 4 1 47.99

1.8639 8 1 5 0 48.82

1.8378M 6 3 3 1 49.56

L . OJ / Oil 0 0 4Q S6

1.8251 6 2 3 2 49.93

1 . 8203+ 6 0 4 2 50.07

1.8203+ 0 1 3 50.07

1.8061M 7 3 1 2 50.49

1.8061M 4 1 0 50.49

1.7447 1 4 0 1 52.40

1.7167+ 11 4 2 0 53.32

1.7167+ 4 1 1 53.32

1.7064 1 2 5 0 53.67

71
Potassium Strontium Phosphate, KSrP04 - (continued)

o rel

1 a = +1

1.1-/1 26(°)

1 . 6840 3 1 2 3 54.44

Z

fx0

*>3 55.47

1.6413M 12 3 4 1 55.98

1.6413M 4 2 1 55.98

1.6314M 9 2 4 2 56.35

1.6314M 2 1 3 56.35

/:O 0

cO 0 57.34

1.6056M 0 3 3 57.34

1.5951M 4 3 3 2 57.75

1.5951M 4 3 0 57.75

1.5655 IL 2 2 3 58.95

1 R A Q 1 oo 1 5 2 59 .68

1.5332M 6 4 3 1 60.32

1.5332M 4 0 2 60.32

1.5141M 3 3 5 0 61.16

1.5141M 4 1 2 61.16

1 . D lUl c3 1 6 1 61.34

1.4713M 2 2 6 0 63.14

1.4713M 2 3 3 63.14

1.4610M 4 4 4 0 63.64

1.4610M 4 2 2 63.64

AH 1 4 3 64.64

1 . 4222 1 2 6 1 65.59

1.4132M 1 3 2 3 66.06

1.4132M 4 4 1 66.06

1.4058M 3 5 2 0 66.45

11 AHRfiM . HUjOn 5 1 1 66.45

1.3907M 6 0 6 2 67.27

1.3907M 0 0 4 61.

1.3836 1 4 3 2 67.66

1.3634 1 5 2 1 68.80

1.3526 1 1 1 4 69.43

1 . 3365M 3 5 3 0 70.39

1.3365M 0 7 1 70.39

72
Silver Telluride (Hessite), Ag2Te

CAS registry no. 12002-98-1

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA.

Color

Unground: medium gray

Ground: dark gray

Structure

Monoclinic, P2/n (13), Z = 8. The space

group was assumed from absences in the

present powder data. The cell having "b"

equal to half our value below would not

allow an index for the very weak line at

d = 8.91. This reflection appeared con- sistently in patterns from randomly oriented

samples, but only appeared intermittently

from non-randomly oriented mountings. Frueh

(1959) gave the space group P2i/n with b'=b/2.

Lattice constants of this sample

a = 8.1698(15) A

b = 8.940(2)

c = 8.0653(15)

P = 112.793(15)"

a/b = 0.9138

c/b = 0.9022

Volume o 543.07 A^

Density

(calculated) 8.399 g/cm^

Polymorphism

Frueh (1959) uses the following nomenclature.

Form III (described here) is stable from

room temperature up to a range from 105 "C

to 145 "C. Form II is stable between the

ranges 105 to 145 °C and 690 to 802 "C.

Form I is stable between the range 690 to

802 °C and the melting point.

Figure of merit

F30 = 23.1(0.015,89)

Additional patterns

PDF card 12-695 (Thompson, 1949)

Frueh (1959)

Tokody (1932)

References

Frueh, A. J., Jr. (1959). Z. Kristallogr.

Kristallgeom. Kristallphys . Kristallchem.

112 , 44.

Thompson, R. M. (1949). Am. Mineral. 34, 342.

Tokody, L. (1932). Z. Kristallogr.

Kristallgeom. Kristallphys. Kristallchem.

82, 154.

0 CuKOj K = 1.540598 A; temp

25±1 "C

xnt-crna J. S UaUUarQ a = 5

0

0

T-rel

1 hk£ a = ±3

0 . 7 X nu 1 0

6.76 10 -1 0 1 13.08

4.492 8 1 0 1 19.75

3.764 5 2 0 0 23.62

3.726 7 -1 2 1 23.86

0 - jO^ Q0 0 2 9AZO . JJ 3.169 24 1 2 1 28.14

3.003 52 -2 2 1 29.73

2.983M 59 -1 2 2 29.93

2.983M 0 3 0 29.93

^ . OOv J.UU 2 0

2.857 24 0 2 2 31.28

2.695 10 -2 2 2 33.21

2.453 6 2 2 1 36.60

2.444 6 1 2 2 36.75

+

nu 3 2 00^ft . 7^/ 0

2 . 323M -3 2 1 38.73

2.301 96 -1 2 3 39.12

2.254 58 -3 0 3 39.97

2.246M 61 -3 2 2 40.11

9 0 2 An 1

2.235+ 30 0 4 0 40.33

2.235+ -2 2 3 40.33

2.189 30 3 2 0 41.21

2.167 12 0 2 3 41.65

9 1 A1 4- o*t .J 0 1 LO 17

2.141+ 0 4 1 42.17

2 . 122M 22 1 0 3 42.57

2.122M -1 4 1 42.57

2.026 15 -4 0 2 44.70

0 m 9 0 2 3 *to . uo

2 . 002M 4 -2 0 4 45.25

2 . 002M 1 4 1 45.25

1.958M 6 -3 3 2 46.33

1.958M -2 4 1 46.33

1 > 70 on _o£. 1 4 HO . HJ

1.953M -1 4 2 46.45

1.930 10 3 2 1 47.04

1.884 IL 4 0 0 48.27

1.863 3 -2 4 2 48.84

CD u 0 4 Aft HO . Oft JO

1.845 2 -4 2 2 49.36

1.821M 4 -1 2 4 50.06

1.821M 0 1 4 50.06

1.7737 11 1 4 2 51.48

1.7355M 2 -3 2 4 52.70

1.7355M 4 2 0 52.70

1.6950 9 -3 4 2 54.06

1,6904 9 -4 0 4 54.22

1.6020 6 -5 0 1 57.48

73
Silver Telluride (Hesslte), Ag2Te - (continued)

o jrel

a = ±3

hk£

1.5874M 5 -2 1 5 58.06

1 .5874M A J .JO . \#o

1.5839 9 2 4 2 58.20

1.5797M 7 -2 5 2 58.37

1.5797M -1 0 5 58.37

1.5752 4 -3 0 5 58.55

1 SS78 7 •>7 • A f 1.5399 2 1 4 3 60.03

1.5077 2 -5 2 1 61.45

1.4974M 2 3 0 3 61.92

1.4974M -5 2 3 61.92

1 4S7'?M 2 0w

AH wJ • 1.4573M 3 5 0 63.82

1.4454 11 -4 4 3 64.41

1 . 4404M 8 -3 4 4 64.66

1 . 4404M 4 4 0 64.66

1 .4107M •» .J •9 Hft 1Q

1.4107M 0 2 5 66.19

1.4036 15 -4 2 5 66.57

1.3965M 18 -1 6 2 66.95

1.3965M -1 3 5 66.95

1.3931 4 4 2 2 1.3761 2 5 0 1 68.08

1.3411+ 6 -2 0 6 70.11

1.3411+ 4 4 1 70.11

1 . 3283 3 2 6 1 70.89

1 . 3263M 2 1 5 2 71 01

1 . 3263M -2 1 6 71.01

1.3077 10 -2 4 5 72.18

1 . 3029M 11 1 2 5 72.49

1 . 3029M -1 6 3 72.49

1 .2994 8 -6 0 A 72 71

1.2946 7 -5 2 5 73.03

1.2901+ 8 -2 6 3 73.32

1.2901+ -1 4 5 73.32

1.2814 10 3 6 0 73.90

1 277'^M .J n\j 7 nu Til in

1.2773M 0 6 3 74.18

1.2555M 4 6 0 0 75.69

1.2555M -1 7 1 75.69

1.2489 7 5 4 0 76.16

1.2390+ 5 1 3 5 76.88

1.2390+ -4 2 6 76.88

1.2271+ 2 5 1 2 77.77

1.2271+ 3 2 4 77.77

74
Sodium Barium Phosphate, NaBaP04

Synonym

Sodium barium orthophosphate

CAS registry no. 53201-91-5

Sample

The sample was prepared at NBS. Na2C03

and 2BaHP04 were ground together, heated

up gradually to 800 °C, re-ground, returned

to oven at 800 °C, heated to 1000 °C, and

held there for 1 hour.

Color

Colorless

Optical data

Low double refraction with an average value

~1.612.

Structure

Hexagonal, P3ml (164), Z = 2, isostructural

with aphthitalite, (K,Na)3Na(S04)2 • The

structure was determined by Calvo and

Faggiani (1975).

Lattice constants of this sample

a = 5.6181(3) A

c = 7.2636(5)

c/a = 1.2929

Volume g 198.55 A^

Density

(calculated) 4.270 g/cm^

Polymorphism

Forms with other than hexagonal symmetry have

been reported (Klement and Kresse, 1961; Kolsi

et al., 1981; Paques-Ledent , 1974). Their

cells may be related to the hexagonal cell

above. An unrelated tetragonal form was reported by Klement and Uffelmann (1941).

Figure of merit

F30 = 82.1(0.010,38)

Additional patterns

PDF card 14-204 (Wanmaker and Spier, 1962),

indexed as orthorhombic

Majling et al. (1979) (calculated pattern)

Comment

A pattern given by Kolsi et al., (1981) is

called monoclinic but can be indexed with

the hexagonal cell here which has ^ the

volume of the monoclinic cell.

References

Calvo, C. and Faggiani, R. (1975). Can. J. Chem. 53, 1849.

Klement, R. and Kresse, P. (1961). Z. Anorg.

Allg. Chem. 310, 62.

Kolsi, A. W. , Quarton, M. , and Freundlich,

W. (1981). Ann. Chim. Paris 6, 411.

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

Patterns for Anhydrous Phosphates (VEDA

,

Bratislava, Czechoslovakia).

Paques-Ledent, M.-Th. (1974). Ind. Chim.

Beige 39, 845.

Wanmaker , W. L. and Spier , H. L. (1962).

J. Electrochem. Soc. 109, 109.

CuKOf \ = 1. 540598

0A; temp. 25±1 °C

Internal std . Fluorophlogopite SRM 675

0 d(A) I

T rei hk£ 2e('») a - ±3

7.27 4 0 0 1 12.17

H. 808 3 1 0 0 18.21

4. 044 59 1 0 1 21 .96

3.632 1 0 0 2 24.49

2.910 100 1 0 2 30.70

2.808 100 1 1 0 31.84

2 . o20 00 1 1 1 34.20

/ . HZJ

0 0 2z 0 0 3 37.08

2 . 307 32 2 0 1 39.01

2 . 222 7 1 1 2 40.57

2.1672 6 1 0 41.64

2.0210 50 2 n 9 44.81

1.8337 25 1 \ •J 49 . 68

1.8155 3 0 0 4 50.21

1 . 7824 11 2 1 1 51.21

1.7008 13 1 0 4 53.86

0£. 1 2 56.01

1.6219 14 3 0 0 56.71

1.5826 1 3 0 1 58.25

1.5247 3 1 1 4 60.69

1.4802 1 3 0 2 62.72

1.4641 2 2 1 3 63.49

1.4548 10 2 0 4 63.94

1.4045 12 2 2 0 66.52

1.3920 5 1 0 5 67.20

1.3472 6 3 0 3 69.75

1.3265 3 3 1 1 71.00

1.2920 10 2 1 4 73.20

1.2651 8 3 1 2 75.02

1.2474 3 2 0 5 76.27

1.2148 5 2 2 3 78.71

1.2095 2 3 0 4 79.12

1.1996 2 4 0 1 79.90

1.1786 1 3 1 3 81.62

1.1748 1 1 0 6 81.94

Klement, R. and Uffelmann, R. (1941).

Naturwissenschaften 29, 300.

75
Sodium Barium Phosphate, NaBaP04 - (continued)

0 a (.A; rel

a = ±3

uKx

1.1537 2 4 0 2 83.78

1IhUU AH z

11 1.1116 5 1 1 6 87.73

1.1031 2 3 2 1 88.58

1.0868 IL 4 0 3 90.27

1.0831 4 3 1 4 90.66

1 . U007 A*» Z yz

1.0620 3 4 1 0 92.99

1.0150 2 1 0 7 98.74

1.0110 2 2 1 6 99.27

.9887 2 3 1 5 102.36

.9724 3 4 1 3 104.77

.9702 4 3 0 6 105. 12

.9546 2 2 0 7 107.60

.9511 3 3 2 4 108.18

76
Sodium Strontium Phosphate, NaSrP04

Synonym

Sodium strontium orthophosphate

CAS registry no. 19553-80-1

Sample

The sample was made at NBS by heating a 2:2:1 molar mixture of (NH4)2HP04, SrCOg,

and NagCOg at 1000 °C for 2 days.

Color

Colorless

Structure

Monoclinic, A*/*, Z = 16. The unit cell was determined by the Visser program (1969),

and the Z assiuned for a reasonable density.

Lattice constants of this sample

a = 20.41A(4)A

b = 5.429(11)

c = 17.246(3)

p = 101.76(2)°

a/b = 3.7602

c/b = 3.1766

Volume o 1871.21 A^

Density

(calculated) 2.919 g/cm^

Polymorphism

Several other cells have been reported

(Klement and Uffelmann, 1941; Bredig, 1942).

Both of these references and Klement and

Steckenreiter (1940) assume there is a transformation. The phase in this study is

assumed to be the low temperature form.

Figure of merit

F30 = 43.4(0.011,63)

M20 = 20.6

Additional pattern

PDF card 14-269 (Wanmaker and Spier, 1962)

References

Bredig, M. A. (1942). J. Phys. Chem. 46,

749.

Klement, R. and Steckenreiter, F. (1940).

Z. Anorg. Allg. Chem. 245, 236.

Klement, R. and Uffelmann, R. (1941).

Naturwissenschaften 29, 300.

Visser, J. W. (1969). J. Appl. Crystallogr.

2, 89.

Wanmaker, W. L. and Spier, H. L. (1962).

J. Electrochem. Soc. 109, 109.

0 CuKa^ A. = 1.540598 A; temp

25±1 °C

mi.emax standard 1)1

,

a = 5.

0

0 T-rel hk£ a = ±5

Q QR 9 9 0 0 ft ft"; 8.43M 10 0 0 2 10.48

8.43M -1 0 2 10.48

7.20 2 -2 0 2 12.28

6.66 4 3 0 0 13.28

0 ooD 1 T111 £. 0 2

5.836 1 -3 0 2 15.17

5.166 9 0 1 1 17.15

5.078 1 -1 1 1 17.45

4.930 1 1 1 1 17.98

A 77Q 3

J> 0 2

4.709 4 -2 1 1 18.83

4.478 6 2 1 1 19.81

4.209M 5 -3 1 1 21.09

4 . 209M -2 0 4 21.09

1; 0 0

3.961M 7 3 1 1 22.43

3.961M 4 0 2 22.43

3.931 8 -5 0 2 22.60

3.906 11 0 1 3 22.75

D 1 3 9^ 99

3.632 7 2 0 4 24.49

3.602M 12 -4 0 4 24.70

3.602M -3 1 3 24.70

3.484 10 4 1 1 25.55

J . jDO 0 2 ZO9fi "iZt . JH

3.330 9 6 0 0 26.75

3.180 4 3 1 3 28.04

2.922 30 -6 0 4 30.57

2.903 44 6 0 2 30.78

£. . ooon A 1 3

2.886M -6 1 1 30.96

• 2.866M 62 0 1 5 31.18

2.866M -2 0 6 31.18

2.805 2 -3 0 6 31.88

0 7 7 0 1 1 1 1 5 ^9 97

2.732 100 -6 1 3 32.75

2.715 48 0 2 0 32.97

2.646 IL 5 0 4 33.85

2.615 7 5 1 3 34.26

2.585M 5 0 2 2 34.67

2.585M -1 2 2 34.67

2.576 6 2 0 6 34.80

2.550 4 -5 1 5 35.17

2.514 1 3 2 0 35.68

77
Sodium Strontium Phosphate, NaSrP04 - (continued)

o d(A) jrexl

a = ±5

2e(°)

2 464 2 2 2 2 36.43

2 387M 9 -6 1 5 37.66

2 387M 4 2 0 37 .66

2 356 1 -4 9 0 38. 16

2 320 4 1 5 38 . 78

2 306 2 -8 1 1 39.02

2 282M 2 0 2 4 39.45

2 282M -2 2 4 39 . 45

2 262 29 4 0 39 . 82

2 246M 15 -7 0 6 40 . 11

2 246M 5 2 0 40.11

2 238M 12 -1 1 7 40.27

2 238M -3 2 4 40.27

2 219M 2 9 0 0 40 . 62

2 219M -3 1 7 40.62

2 205 3 0 1 7 40.90

2 196 4 8 1 1 41.06

2 175 7 2 2 4 41 . 49

2 169M 3 -4 2 4 41 . 60

2 169M 7 0 4 41.60

2 148 3 1 1 7 42.03

2 105M 9 6 2 0 42.94

2 105M -4 0 8 42.94

2 092M 3 -8 0 6 43.22

2 09 2M 3 2 4 43.22

2 0550 4 1 0 8 44.03

2 0466M 7 9 0 2 44.22

2 0466M -5 0 8 44.22

2 0409 7 -10 0 2 44.35

78
Sodium Titanium Phosphate, NaTi2(P04)3

Synonyms

Sodium titanium orthophosphate

NTP

CAS registry no. 22239-24-3

Sample

The sample was made at NBS by heating a 1:2:2 molar mixture of NaH2P04'H20,

(NH4)2HP04, and Ti02 (anatase) at 1000 °C.

It was then re-ground and heated at 1200° C

for 18 hours.

Color

Colorless

Structure

Rhombohedral , R3c (167). Isostructural with

NaZr2(P04)3 and other similar phosphates.

The structure of NaZr2(P04)3 was determined

by Hagman and Kierkegaard (1968).

Lattice constants of this sample

Hexagonal axes

a = 8.4912(3)A

c = 21.7858(12)

c/a = 2.5657

Z =6

Volume o 1360.35 A3

Density

(calculated) 2.957 g/cm^

Polymorphism

Gotz and Niebergall (1969) report a cubic

form of NaTi2(P04)3 in the ternary system

NaP03-NaF-Ti02

Figure of merit

F30 = 112.7(0.007,36)

Additional patterns

PDF card 23-1410 (Hagman and Kierkegaard,

1968)

Chernorukov (1978)

References

Chernorukov, N. G. (1978). Russ. J. Inorg.

Chem. Engl. Transl. 51, 425.

Gotz, W. and Niebergall, R. (1969).

Naturwissenschaften 56, 35.

Hagman, L.-O. and Kierkegaard, P. (1968).

Acta Chem. Scand. 22, 1822.

0 CuKOj \ = 1.540598 A; temp

25±1 °C

Internal standard Si, a := 5

0 430825 A

0 d(A) jrel hk£ 2e(°)

u — XZ

6.095 14 0 1 2 14.52

ZU 1

fiu ZUon . z97/ A OAR OZ 11 1 AU 9n Q

ZU . y X J . AAA ODD 1 f\f\ lUXJ 1

11 J ZH- OA . ZDOA

^ A^O 1 n U u 0 z** OA . AOny

3.485 4 2 0 2 25.54

0 A A D u Z

A OQ Oft zy . Zo

J. . /Dyn OH 1 1 AD 00 AO JZ . 4Z

0 1 X qo AO oZ . HZ

0 AO A £. 1 0z

0Z

q q 0 q 00 . Zo

2.5532 1 0 1 8 35.12

0 A 7 A

z Z 1X 00qA OR . ZD

ZHDZU 1 A Q n n 00^A . AOoz

0 1 fi Q Q Z . loo

Z z u

00

A 1 00 HX . ZZ

Z . lU JZ 71

1X q AO 07 ^d. . y /

2,0733 2 2 1 7 43.62

Z . \)o / 0

c z 9 q /. /i /. 0

z . u jzzn 0

0 nu A0

z . uozzn 1 q 11 AA ti"; Z

1 X Z9 A"; 1

1.9455 15 1 2 8 46.65

I . y iuu 1 q A A7 R7

1 fi 7 A A z u Z 1xun Aft RA

1 fi A 7 "a z X c AOly OQ . zy

1 . 0 JoU 1 A10 z z A0 AQ 7 A ^y - /u

1.8152 5 0 0 12 50.22

1 Q 1 0 fi D

nU

A 9 DuRn OQ . zy

1 T u

Af DZRO . AQny

1 71/./. y Z X xu Rq An Do . **u

I/Uoo 1 1 q 7 Rq AQ Do . oy

1.6821 IL 3 2 1 54.51

11 AA7A . DO /

1 Z

q z RR nq DD - uo

1 AQ 0 Q i . 0 oZo 0

0 1X D0 DORA . ouqn

c Z

A R7 1

D / . X X

1X nu R7 q7 D / . 0 /

1.5959 2 2 2 9 57.72

1 C 7 0 0 z

0 3 5 DoRfi Aq . Oo

1 c A7r\ /. A

1 3

Rfi fiQ Do . oy

1 C 0 0 A cD U 4 8 An 7

ou . / *

1 A fi Q 0 0 J. 3 10 AOoz qi . ox

1.4678 6 4 1 6 63.31

1 . 4589 2 3 0 12 63.74

1.4331 5 2 0 14 65.03

1.4199 4 0 5 4 65.71

1.4153 3 3 3 0 65.95

1.4051 2 4 0 10 66 49

1.3890 IL 3 3 3 67 36

1.3798 1 2 2 12 67 87

1.3741 3 1 1 15 68 19

1.3583 3 1 2 14 69 10

79.
Sodium Titanium Phosphate, NaTi2(P04)3 - (continued)

o d(A) I a = +2

bkSL 26(°)

1.3467 1 2 4 4 69.78

1.3373 1 4 1 9 70.34

1.3338 1 3 2 10 70.55

1.3239 IL 4 2 5 71.16

1.3183M 1 3 3 6 71.51

1.3183M 5 1 1 71.51

1 . 2942M 1 1 3 13 73.05

1.2942M 5 0 8 73.05

1.2837 9 5 1 4 73.75

1 . 2642 4 1 5 5 75.08

1.2371 2 3 1 14 77.02

1 .2257 7 6 0 0 77.87

1.2157 3 5 1 7 78.64

1.2102 1 0 0 18 79.06

1.2014 IL 3 4 2 79.76

1 . 1886M 1 3 2 13 80.79

1 . 1886M 1 5 8 80.79

1.1772 1 5 2 0 81.74

1.1717 IL 2 4 10 82.21

1.1637M 1 1 1 18 82.90

1.1637M 1 2 17 82.90

1 . 1438 3 2 3 14 84.67

1.1267 IL 4 3 7 86.26

1.1200M 4 5 2 6 86.91

1.1200M 1 6 1 86.91

1.1049 2 3 4 8 88.40

1.0984 7 1 6 4 89.06

80
Sodium Zirconium Phosphate, NaZr2(P04)3

CuKa A. = 1.540598 A; temp. 25±1 °C

o Internal standard Si, a = 5.430825 A

d(A) l'^^^ hkJL 2e('»)

Synonyms

Sodium zirconium orthophosphate

NZP

CAS registry no. 19527-81-2

Sample

The sample was made at N6S by heating a 1:2:2 molar mixture of NaH2P04'H20, (NH4)2HP04,

and Zr02, slowly up to 1000 "C. It was then

re-ground and heated to 1200 °C overnight.

Color

Colorless

Structure

Rhombohedral, R3c(l67). Isostructural with

NaTi2(P04)3 and many other similar phosphates.

The structure has been determined by Hagman

and Kierkegaard, (1968) and confirmed by Hong

(1976).

Lattice constants of this sample

Hexagonal axes

a = 8.8048(4)A

c = 22.7572(14)

c/a = 2.5846

Z =6

Volume o 1527.88 A3

Density

(calculated) 3.198 g/cm^

Figure of merit

F30 = 103.6(0.007,43)

Additional patterns

PDF card 23-1411 (Hagman and Kierkegaard,

1968)

PDF card 24-1180 (Clearfield et al., 1969)

Majling, et al. (1979) calculated pattern

References

Clearfield, A., Duax, W. L. , Medina, A. S.,

Smith, G. D., and Thomas, J. R. (1969). J. Phys. Chem. 73, 3424.

Hagman, L-0. and Kierkegaard, P. (1968).

Acta Chem. Scand. 22, 1822.

Hong, H. Y-P. (1976). Mater. Res. Bull.

11, 173.

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

Patterns for Anhydrous Phosphates . (VEDA,

Bratislava, Czechoslovakia)

a = ±1

0 . Jzo zz U 1 z

1 0 OA 13 . yy

/. titl£i H . DOD 75 11 A A 1 A AT 19 . Wl

9 /

11 1 A OA 1 T zU. 17

0 . oU /

1 f\r\ lUU 1 i 0J ZJ . 35

3.614 1 2 0 2 24.61

J . ioo A0

r\Z

AH00 1 £ Zo . 16

0 0 "7 0 OAy4 11 1 b

01 1 n ol . 10

z . bob J A 11 00

00 c n 33.59

O A Z^f z

11 A OA 0 T 34.87

2.5419 42 3 0 0 35.28

Z . ZoU

/ z A on An 39 . *fy 0 on 1 z * zu Id b z z 0 wAn C\£.

. 9o

0 1 Q on z . ly zy J 1 1 0 41 . 13

0 1 ono Z . loUZ J

11 A 1 n A 1 00 41 . 38

2.1568 2 2 1 7 41.85

0 1 1 1 A Z . 1 1 ID 1 n A b

/ 0 Tn 42 . 79

0 mo"7 z . u /y / 0

3 1 2

/ 0 / 0 43 . 48

0 A 0 A Q Z . UZ40 Zi 1 2

00 44. 72

1 Q Q 0 A 1 0IZ 1 0JA Ac "TO 45 . 73

1.9542 6 0 2 10 46.43

1 . yujy zy z z b AT TO 47 . 73

1 . ooUZ 0 A0

A z

/ 0 0 T 48 . 37

i . oU /

1 A AU

A C A A / 50 . 44

1 T 0 /cn 22 2 1 10 51 . 10

1.7727 4 1 3 7 51.51

1 . byb

/

y 3 1 00 54.00

i . b / ly 3 z

A C / 0 T 54.87

1 . bboo z5 /H 1 A0 55 . 16

1 £ 0 0 0 11 2 3 5 56.30

1.6251 2 4 1 3 56.59

1 C 0 0 A

1 . 5o9'» 5 0 1 14 57.98

1 C 0 0 A / 0 8 58.22

1 c A 0 n Iz 1 3 10 C ft £ / 59.64

1 3 2 7 60.02

1 . DZjb 1 A Ih if 1 b 60. 74

1.5197 1 3 0 12 60.91

1.4950 7 2 0 14 62.03

1.4787 4 3 1 11 62.79

1.4730 6 0 5 4 63.06

1.4676 7 3 3 0 63.32

1.4610 4 4 0 10 63.64

1 . 4406 1 3 3 3 64.65

1.4340 3 1 1 15 64.98

1.4157 9 1 2 14 65.93

1.3969 5 2 4 4 66.93

81
Sodium Zirconium Phosphate, NaZr2(P04)3 - (continued)

o a(A)

rel

1 a = ±1

1.3900 3 4 1 9 67.31

1 . JHoy c5 Z lU iiT AD

1.3738 1 4 2 5 68.21

1.3688 3 3 3 6 68.49

1.3487 1 1 3 13 69.66

1.3314 8 5 1 4 70.70

1 Olio 1 1 3 5 71 . 95

1.2886 1 3 1 14 73.42

1.2855 5 4 2 8 73.63

1.2751 1 2 1 16 74.33

1.2709 7 6 0 0 74.62

1 . Z04o o U

A 1 fi U lo 75 .07

1.2619 2 5 1 7 75.24

1.2373M 1 3 2 13 77.01

1.2373M 0 4 14 77.01

1.2243 1 4 3 4 77.98

AH

0 A /o . ZJ

1.2176 4 2 4 10 78.49

1.2053M 2 5 2 3 79.45

1.2053M 6 0 6 79.45

1.1907 5 2 3 14 80.62

1 . I /DO 1 T

11* e3

1 1 A flO AQ OZ . U3

1.1624 5 5 2 6 83.01

1.1473 3 3 4 8 84.35

1.1421 1 1 5 11 84.82

1.1395 2 1 6 4 85.06

OZO A 1 fi U Xo o5 . 7 7 1.1255 2 0 1 20 86.38

1.1122 3 5 0 14 87.67

1.1039 1 3 2 16 88.50

1 . 1008 2 4 4 0 88.82

1.0982 6 4 3 10 89.08

1.0903 IL 2 0 20 89.90

1.0879 IL 3 5 1 90.16

1.0845 1 0 7 2 90.52

82
Yttrium Chromium Oxide, YCrOg

Synonym

Yttrium orthochromite

Sample

The sample was prepared at NBS by T. Negas.

Color

Medium yellowish green

Structure

Orthorhombic, Pnma (62), Z = 4, isostructural

with GdFeOa (Geller and Wood, 1956). The

structure of GdFeOs was determined by Geller

(1956).

Lattice constants of this sample

a = 5.5237(3)A

b = 7.5343(5)

c = 5.2427(3)

a/b = 0.7331

c/b = 0.6958

Volume o 218.19

Density

(calculated) 5.751 g/cm^

Figure of merit

F30 = 116.2(0.008,31)

Additional patterns

PDF card 25-1078 (Gallagher and McCarthy, Penn

State University, University Park, PA)

Geller and Wood (1956)

Keith and Roy (1954)

Looby and Katz (1954) (indexed with a monoclinic supercell)

References

Geller, S. (1956). J. Chem. Phys. 24, 1236.

Geller, S. and Wood, E. A. (1956). Acta

Crystallogr. 9, 563.

Keith, M. L. and Roy, R. (1954). Am.

Mineral. 39, 1.

Looby, J. T. and Katz, L. (1954). J. Am.

Chem. Soc. 76, 6029.

Ruggiero, A. and Ferro, R. (1955). Gazz.

Chim. Ital. 85, 892.

0 CuKa^ \ = 1.540598 A; temp. 25±1 °c

Internal standard Ag, a = 4 UODJ i

0

A

0 j.rel hk£ Oft ( 0\

a = ±2

2 0 \ /U . 0

3.805 5 1 0 1 23.36

3.770 5 0 2 0 23.58

3.396 22 1 1 1 26.22

2.762 22 2 0 0 32.39

z . 0 / 0 100 1 2 \ 00 . HO

2.621 27 0 0 2 34.18

2.593 12 1 0 34.56

2.443 IL 2 0 1 36.76

2.3678 2 1 0 2 37.97

1 2 1J. 1J. DO , / U

2.2647 5 0 3 1 39.77

2.2592 9 1 1 2 39.87

2.2276 6 2 2 0 40.46

2. 1509 9 0 2 2 41.97

0 noii'j L

uyo

/

11 1 3 1 / Q 11 2.0497 3 2 2 1 44.15

2.0049 2 1 2 2 45.19

1.9013 24 2 0 2 47.80

1.8831 18 0 4 0 48.29

1ODoZ 8 2 3 0 AR Qft 1.8434 13 2 1 2 49.40

1.7516 IL 2 3 1 52.18

1.7376 2 3 0 1 52.63

1.7230 2 1 3 2 53.11

1 0 3 D J . oZ

1.6933 20 3 1 1 54.12

1.6878 1 1 4 1 54.31

1 . 6665 IL 1 0 3 55.06

1.6264 3 1 1 3 56.54

1 7 "7 0 9 31X 00 . A7H / 1.5564 11 2 4 0 59.33

1.5291 17 0 4 2 60.50

1.5238 27 1 2 3 60.73

1.5157 6 2 3 2 61.09

1 . aOOD IL 3 0 2 0 i . J\J

1.4764 1 2 0 3 62.90

1.4482 IL 0 5 1 64.27

1 . 4344 IL 0 3 3 64.96

1.4286 8 3 3 1 65.26

1.4008 1 1 5 1 66.72

1.3883 IL 1 3 3 67.40

1.3809 IL 4 0 0 67.81

1.3752 IL 2 2 3 68.13

1.3583 3 4 1 0 69.10

83
Yttrium Chromium Oxide, YCrOs - (continued)

o rel

a = ±2

hk£

1J. n\j 0 AH

o

/ u

1.3229 1 2 u 71.22

1.3107 4 0 0 4 71.99

1.2965 1 4 2 0 72.90

1.2920 1 3

oo Z 73.20

1 T

X ±1 0£. cD 1 / J . 0.5 1.2769 IL 3

A

1 74.21

1.2751 1 1 0 4 74.33

1.2713 1 1 5 2 74.59

1.2574 2 1

11/. 75.56

1 fi\j D 1.2499 4 3 1 oJ 76.09

1.2481 2 1 4 3 76.22

1.2382 IL 0 2 4 76.94

1.2219 1 4 n 78.16

1 . 2101 1X L oJ 7Q n?

1.2062 4 4

1X 79.38

1.2015 3 3 2 3 79.75

1.1923 7 1 6 1 80.49

1. 1841 3 2 n\j A 81.16

1 . 1810 2 O£. 81 4?

1.1699 3 2

1 H 82.36

1.1623M 3 4 2 2 83.02

1.1623M 2 4 3 83.02

1.1384 5 3 11 85.16

1 . ±JU -i -5 R"^ R1 1.1176 1 1

'3 87.14

1.1137 IL 4 4 0 87.52

1.0987 4 4 3 2 89.03

1.0894 IL 4 4 1 90.00

1.0833 IL 4 0 3 90.64

1.0809 2 5 0 1 90.90

1.0758 2 0 4 4 91.45

1.0708 3 2 3 4 92.00

1.0699 3 5 1 1 92.10

84
Zinc Arsenate Hydrate (Koettigite) , Zn3(As04)2'8H20

Synonyms

Zinc arsenate octahydrate

Zinc orthoarsenate octahydrate

Sample

The sample was made at N6S by adding a dilute

solution of Na2HAs04 dropwise to a slightly

alkaline dilute solution of ZnS04.

Spectrographic analysis

Major impurities

0.05 to 0.25% P

0.002 to 0.01% B,Cu,Fe,Ni,Pb,Si < 0.005% Al, Mg

Color

Colorless

Structure

Monoclinic, I2/m (12), Z = 2. Vivianite

structure (Wolfe, 1940). The structure of

vivianite (Fe3(P04)2 •8H2O) was discussed

by Mori and Ito (1950).

Lattice constants of this sample

a = 10.118(2)A

b = 13.431(2)

c = 4.7615(12)

p = 101.81(2)°

a/b = 0.7533

c/b = 0.3545

Volume o 633.37 A3

Density

(calculated) 3.241 g/cm^

Comment

Note the similarity between the data above

and the data for the phase Co3(As04)2 "81120 also appearing in this Monograph.

Figure of merit

F30 = 67.1(0.010,44)

Additional pattern

PDF card 1-0744 (New Jersey Zinc Co.)

References

Mori, H. and Ito, T. (1950). Acta Crystallogr.

3, 1.

Wolfe, C W. (1940). Am Mineral. 25, 787.

CuKa \ = 1.540598

0A; temp. 25±1 °C

Internal standard Si, a = 5 43088 A

d(A)

jrel hk£ 2e(°)

0 = ±2

7.97 24 1 1 0 11.09

6.72 100 0 2 0 13.17

4.951 10 2 0 0 17.90

4.595 5 -1 0 1 19.30

4.403 14 0 1 1 20.15

0 d(A)

,.rel

I a = ±2hk£ 2e('»)

4.083 9 1 3 0 21.75

3.987 6 2 2 0 22.28

3.923 15 1 0 1 22.65

3.660 7 -2 1 1 2.4.30

3.385 3 1 2 1 26.31

3.357 4 0 4 0 26.53

3.229 47 0 3 1 27.60

3.013 34 2 1 1 29.63

3.002 36 -3 0 1 29.74

2.900 1 -2 3 1 30.81

2.779 8 2 4 0 32.19

2.736 28 -3 2 1 32.70

2.711 25 -1 4 1 33.01

2.657 16 3 3 0 33.70

2.593 2 1 5 0 34.57

2.549 9 1 4 1 35.18

2.468 16 3 0 1 36.38

2.343 10 -1 1 2 38.39

2.328 22 0 5 1 38.64

2.238M 5 0 6 0 40.27

2 . 238M -3 4 1 40.27

2.200 4 0 2 2 40.99

2.195 9 -2 5 1 41.08

2.1154 1 -4 3 1 42.71

2.0838 11 3 5 0 43.39

2.0396 1 2 6 0 44.38

2.0120 2 -1 6 1 45.02

1.9915 2 4 4 0 45.51

1.9874 2 3 4 1 45.61

1.9594M 8 2 0 2 46.30

1.9594M 5 1 0 46.30

1.9542 8 1 3 2 46.43

1.9443 3 1 6 1 46.68

1.9153M 3 -3 3 2 47.43

1.9153M 0 4 2 47.43

1.8434 7 4 3 1 49.40

1.7925 2 -3 6 1 50.90

1.7893 3 -4 5 1 51.00

1.7744 2 0 7 1 51.46

1.6884 9 1 5 2 54.29

1.6789 11 0 8 0 54.62

1.6643 11 -3 9 55.14

1.6604 10 4 6 0 55.28

1.6154 3 4 5 1 56.96

1.6023 2 6 2 0 57.47

1.5941 1 5 5 0 57.79

1.5621 3 -6 3 1 59.09

1.5441 2 1 8 1 59.85
Zinc Sulfate Hydrate (Gunning ite), ZnS04-H20

Synonym

Zinc sulfate monohydrate

CAS registry no. 7446-19-7

Sample

The sample was made by allowing ZnS04*6H20 to

stay in dry air for several days.

Color

Colorless

Structure

Monoclinic, A2/a (15), Z = 4. Isostructural

with kieserite (MgS04-H20), (Pistorius, 1961).

The structure of kieserite was determined

by Leonhardt and Weiss (1957).

Lattice constants of this sample

a = 7.5079(6)A

b = 7.5871(6)

c = 6.9355(6)

P = 116.248(7)°

Volume o 354.3 A^

Density

(calculated) 3.364 g/cm^

Figure of merit

F30 = 122.5(0.006,38)

Additional pattern

PDF card 12-781 (Pistorius)

References

Leonhardt, H. J. and Weiss, R. (1957).

Naturwis sens chaften 44, 338.

Pistorius, C. W. F. T. (1961). Acta

Crystallogr. 14, 534.

0 CuKOj \ = 1.540598 A; temp

25±1 °C

Internal standard Si, a = 5 43088 A

d(A) jrel hk£ 2e(°)

a = ±1

4.810 39 0 1 1 18.43

4.759 39 -1 1 1 18.63

3.794 11 0 2 0 23.43

3.404 100 1 1 1 26.16

3.348 23 -2 1 1 26.60

3.307 28 1 2 0 26.94

3.056 47 -2 0 2 29.20

2.5595 16 -1 2 2 35.03

2.5185 46 2 2 0 35.62

2.4051 3 0 2 2 37.36

0 d(A) jrel

CT = ±1

hk£ 2e(°

2 . 3989 3 2 1 1 37 . 4o

2.3805 5 -2 2 2 37 . 76

2.3678 6 -3 1 1 37 .97

2.3370 13 -1 3 1 38.49

2.1888 18 -1 1 3 41.21

2 . 1064 9 1 3 1 42 . 90

2 . 0934 4 -2 3 1 43 . 18

2 . 0536 10 1 2 2 44 . Oo

2 . 0223 2 -3 2 2 44. 78

1.9674 14 -3 1 3 46.10

1.9318 2 3 2 0

/ T Art

1 . 9036 7 2 0 2 47 . 74

1 0 n T rt 1 . 8979 5 0 0

1.1 on

1 . 8105 9 3 1 1

C A 0^ 50 . 36

1.7912 1 -4 1 1 50.94

1 . 7886 1 2 3 1 CI AO 51 . 02

1 . 7753 1 -3 3 1 51 . 43

1 . 7330 3 -2 0 4 52 . 78

1 . 7011 7 2. 2 2 53 . 85

1.6964 5 -1 3 3 54.01

1 . 6909 IL 1 3

C /. OA

1 . 6835 1 0 0 . 'fo

T *7 0 0

1d73o -I c 15 /. 0z z OH . OU

1 ^ c 0 0

1d52z 00 2 0 DO . 00

1.6193 10 0 4 2 56.81

1 . 6035 1 0 J J

R "7 /. 0 D / . 4z

1 . 5861 9 -3 3 3 CO 11 5o . 11

1 .5765 -2 2

/. CO CO DO . DO

1 .5557 6 0 0 4

C A 0 ^ 59 . 36

1.5420 3 -1 2 4 59.94

1 .5383 1 4 2 0

1 A oO . 10

1 .5279M 3 -3 2 4

£ A C C 60.55

1 .5279M / 0 4 ^A C C oO . 55

1 .5006 7 3 3 1 ol . 77

1.4857 IL -3 4 2 62.46

1 .4726 1 -1 5 1 ^0 AO o3 . Oo

1 .4518 3 1 3 3

A An OH . 09

1 . 4486 2 3 4 0 0H.Z5

1.4390 3 0 2 4

CI "7 0 64. 73

1.4364 4 -5 1 3 64.86

1 .4301 1 -5 1 1 o5 . lo

1 .4172M 3 -4 2 4

cc 0 c 05 . 85

1 .4172M 3 2 2 £c oc 05 . 85

1 . 4094 3 1 5 1 00. ZD

1.3962 1 -5 2 2 00 . 97

1.3541 1 -3 1 5 69.34

1.3302 2 -4 4 2

1.3024 1 1 2 4 12.52

1.2795 5 -2 4 4 74.03

1.2693 2 5 2 0 74.73

86
zinc Sulfate Hydrate (Gunningite), ZnS04«H20 - (continued)

e rel

1 o = ±1

hIrO

11 ^OHon Ofk/k(M cD * nU

o 1.2646M 0 6 0 75.05

1.2618M 5 -5 3 1 75.25

1.2618M -2 5 3 75.25

1.2535 2 -3 4 4 75.83

1.2269 IL -6 1 3 77.78

1.2168 IL -3 5 3 78.55

1 . 1998 IL 4 2 2 79.89

1 . 1949M 1 5 1 1 80.28

1 . 1949M -6 0 4 80.28

87
Phenobarbital Hydrate, Ci2Hi2N203'H20

This pattern is calculated from published

crystal structure data. The calculation

procedure follows the method described in

previous sections 15 and 16 of NBS Monograph

25.

Synonyms

5-Ethyl-5-phenyl-2 , 4 , 6 ( IH , 3H , 5H) -pyrimidinetrione hydrate

Phenobarbitone monohydrate

5-Ethyl-5-phenylbarbituric acid hydrate

CAS registry no. 24486-13-3

Structure

Orthorhombic, Pbca (61), Z = 8. The structure was refined from single crystal data

(Williams, 1973).

Atom positions

All atoms were in general positions 8(c).

Lattice constants

a = 7.157 A

b = 30.881

c = 10.871

(published values

for CuKa = 1.54178;

CD cell: 10.871 A,

Pcab; a/b = 0.3520,

Volume o 2402.7 A3

7.157 A, 30.879, 10.870

Williams, 1973)

30.881, 7.157, sp. gp.

c/b = 0.2318

Density

(calculated) 1.384 g/cm^

Thermal parameters

Isotropic for hydrogen atoms (ibid.).

Isotropic B. for other atoms, estimated from

U. . for each atom.

Scattering factors

Zero ionization (International Tables, 1962)

Scale factors

Y

= 0.2009 X 10-2

I/I ^ (calculated) = 0.812 for corundum

reflection with hkl = 020.

Comment

This phase was earlier thought to be number V

of the numerous polymorphs of anhydrous

phenobarbitone. It was later referred to

as form XIII, but now has been shown to be a monohydrate (Williams, op. cit.).

Additional patterns

PDF card 22-1883 (Nogami et al. , 1969)

PDF cards 27-1592 (Cleverly and Williams,

1959) and 27-1848 (Mesley et al., 1968)

may be essentially the phase described

here, though each card appears to have minor

amounts of a 2nd phase.

References

Cleverly, B. and Williams, P. P. (1959).

Tetrahedron 7, 277.

International Tables for X-ray Crystallography III (1962). (The Kynoch Press,

Birmingham, England), p. 202.

Mesley, R. J., Clements, R. L. , Flaherty,

B., and Goodhead, K. (1968). J. Pharm.

Pharmacol. 20, 329.

Nogami, H. , Nagai, T. , and Yotsuyanagi, T. (1969). Chem. Pharm. Bull. Tokyo 17, 499.

Williams, P. P. (1973). Acta Crystallogr.

B29 . 1572.

Calculated Pattern (Peak heights)

\=1.540598A

o d(A) Trel

I hk£ 26(°

15.44 100 0 2 0 5.72

8.87 1 0 2 1 9.96

7.72 30 0 4 0 11.46

5.863 90 1 1 1 15. 10

5.569 7 1 2 1 15.90

5.434 45 0 0 2 16.30

5.163 12 1 3 1 17.16

4.726 9 1 4 1 18.76

4.653 2 0 6 1 19.06

4.283 2 1 1 2 20.72

3.897 80 1 6 1 22.80

3.773 2 1 4 2 23.56

3.736 3 0 6 2 23.80

3.548 15 1 7 1 25.08

3.485 8 2 2 0 25.54

3.378 6 2 3 0 26.36

3.312 1 1 6 2 26.90

3.243+ 1 1 8 1 27.48

3.164 1 1 2 3 28.18

3.085+ 13 1 3 3 28.92

2.976+ 22 1 9 1 30.00

2.938 2 2 6 0 30.40

2.864+ 12 1 5 3 31.20

2.779+ 27 2 7 0 32.18

2.743+ 2 1 10 1 32.62

2.685 5 0 10 2 33.34

2.624 4 2 8 0 34.14

2.608 7 1 7 3 34.36

2.585 6 2 6 2 34.68

2.477+ 2 2 9 0 36.24

2.3624 1 2 8 2 38.06

2.3376 2 2 10 0 38.48

2.3248+ 2 0 12 2 38.70

2 . 2224 5 0 8 4 40.56

2.2088 2 2 11 0 40.82

+ More than one hkS. possible

88
Phenobarbital Hydrate, Ci2Hi-2N203'H20 - (continued)

o d(A) jrel hk£ 2e(»)

2.1642 2 2 0 4 41.70

2.1436 1 2 2 4 42.12

o nfiftfi Z. Uooo 11 Z 1XZ9 u

*> 1 Z • U /3

Z 1 X c A'^ '^ft Z UD iO Z

1X Z

c3 A'^ flft

2.0129 2 1 12 3 45.00

1.9953+ 1 3 8 1 45.42

1 . V /OB 11 AU A^L HO ft9 . oZ

1 . 5»Z /ST O q 0 X

1 QJ xu X Aft OA

1.8309+ 1 1 8 5 49.76

1.8220 1 14 3 50.02

I . 17 J£. 1 X X

1X

ftft

1 . / /30 11 Z

1 AIf Z R1 AA D i • HH

1.7156 1 0 18 0 53.36

1.6985 1 2 16 0 53.94

1.6402 1 0 8 6 56.02

1.6046 1 3 1 5 57.38

Calculated Pattern (Integrated)

\=1.540598A

d(A) l"^ hk£ 2e(»)

15.44 100 0 2 0 5.72

8.891 1 0 2 1 9.94

7.722 31 0 4 0 11.45

5.870 97 1 1 1 15.08

5.573 5 1 2 1 15.89

5.437 48 0 0 2 16.29

5.169 11 1 3 1 17.14

5.148 3 0 6 0 17.21

5.128 2 0 2 2 17.28

4.7263 10 1 4 1 18.76

4.6526 1 0 6 1 19.06

4.2875 2 1 1 2 20.70

3.9904 1 1 3 2 22.26

3.9005 93 1 6 1 22.78

3.7763 1 1 4 2 23.54

3.7372 3 0 6 2 23.79

3.5787 2 2 0 0 24.86

3.5492 17 1 7 1 25.07

3.4863 9 2 2 0 25.53

3.3796 8 2 3 0 26.35

0 d(A) jrei 2e(»

3.3129 1 1 6 2 26.89

3.2431 1 1 8 1 27.48

^ 1 X 1 o Zo . Xo

Q 1 1 1 *> X oz

A•f iX

Oft <i7 Zo . D/

J . UooU D

A XU A Oft ftO Zo . 07

3.0849 10 1 3 3 28.92

2.9820 8 1 4 3 29.94

Z . 7 /OZ xy X X OA AA ou . uu

Z . 3 / OZ 0z z X 0z OA A1 OU • UX

0 Q070 Z • 70/7 zoz 0 u OA /.A OU . *»U

2.8707 4 2 3 2 31.13

2.8644 12 1 5 3 31.20

O "7Q"7A Z . /O /U O^Zo Z

A Z OO AO OZ . Uy

xy

*>z

7 u oo 1 fi oZ . Xo

O 7 /. q 7 Z X XU X oo 1 oZ .ox

2.7380 1 1 6 3 32.68

2.6853 6 0 10 2 33.34

Z . OZHZ A Z

QO u of. X4

O AA70 z . ou/y oo X 71 oo ^A

Z . OOHO 7 0z O

oz Of^A Aft . OO

2.4788 1 1 8 3 36.21

2.4768 2 2 9 0 36.24

Z . ODOU z

0z

eo

0zqfi AC Jo . U3

Z . OOoZ z

0z1

XU AU

qft JO .4/A7

Z . oZOU X AU XZ 0Z Joqfi Aft . OO

2.3237 1 3 1 1 38.72

2.2224 7 0 8 4 40.56

z . zUots X 0z X X AU 4UAA ftO . OZ

*> 1 £ A O o Z u

A« A 1 7A HX . /U

Z. . 14J X 0z

0z0z

AH AO 1 ^ *fZ . X J

2.0893 2 2 12 0 43.27

2.0756 2 1 1 5 43.57

z . uoxo o 1X oz 0 AQ ftft 4J . Oo

Z . Ul JJ z

1X1 0XZ oo AA44 . 00S!>

1 . yy^fo 1 J

Qo X 43AC Aq .4J

1.9792 2 2 13 0 45.81

1.9287 1 1 6 5 47.08

1 . yz/0 / OO X Li 1 1 H / . X X

1 O^AA X oO1 AXU X HoAft OO . 70

1 Q OO A 1 . oZZU Z X

1 Ax*» J DU • UZ

1 . 7929 1 3 11 1 50.89

1.7747 1 2 14 2 51.45

1 t£ on 1 . /ozy 1 H

OO

AUCI fiO 3 X . oZ

1 .7156 11 0

1 o lo U Jj. Jo

1.6988 1 2 16 0 53.93

1.6402 1 0 8 6 56.02

1.6048 2 3 1 5 57.37

89
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1-10 and MONOGRAPH 25, SECTIONS 1-19, inclusive.

INORGANIC NAMES

Vol. or

Sec. Page

Aluminum, Al 1 11

Aluminum antimony, AlSb 4 72

Aluminum bismuth oxide, Al4Bi209 .... 11m 5

Aluminum borate, AligB4033 17m 5 Aluminum chloride, AICI3 9m 61

Aluminum chloride hydrate

(chloraluminite) , AICI3 -61120 7 3

Aluminum copper, AI4CU9 11m 79

Aluminum fluoride hydroxide silicate,

topaz, Al2(F,0H)2Si04 Im 4

Aluminum iron, AlFe 18m 5

Aluminum iron antimony oxide, bahianite,

Al5.66Feo.o9Sb2.950i6 16m 87

Aluminum iron oxide, AlFeOs 15m 7 Aluminum lithium, Al4Li9 10m 98

Aluminum nickel, AlNi 6m 82

Aluminum nitride, AIN 12m 5 Aluminum nitrate hydrate,

A1(N03)3-9H20 11m 6

Aluminum oxide (corundiun) , a-Al203 . . 9 3

Aluminum oxide hydrate (boehmite),

a-Al203'H20 3 38

Aluminum oxide hydrate, diaspore,

P-A1203'H20 3 41

Aluminum phosphate, A1(P03)3 2m 3

Aluminum phosphate (berlinite)

,

AIPO4 (trigonal) 10 3

Aluminum phosphate , AIPO4

(orthorhombic) 10 4

Aluminum plutonium, AI3PU 15m 77

Aluminum rhenium, AlRe 15m 79

Aluminum rhenium, Ali2Re 15m 80

Aluminum rhodium, AlRh 15m 82

Aluminum ruthenium, AlRu 15m 83

Aluminum ruthenium, AlgRu 15m 84

Aluminum samarium, AlSm2 15m 86

Aluminum samarium, AlSm3 15m 88

Aluminum samarium, Al2Sm 15m 90

Aluminum samarium, Al3Sm 15m 91

Aluminum silicate (mullite),

Al6Si20i3 3m 3

Aluminum sulfate, Al2(S04)3 15m 8

Aluminum technetium, AlgTc 15m 93

Aluminum terbium, Al2Tb 15m 95

Aluminum terbium, Al2Tb3 15m 96

Aluminum thorium uranium, AlgThU .... 15m 98

Aluminum tungsten, AI5W, 6-phase .... 15m 100

Aluminum tungsten oxide, Al2(W04)3 .. 11m 7 Aluminum vanadium, AIiqV 15m 102

Aluminum vanadium, AI10.25V 15m 104

Aluminum vanadium, AI23V4 15m 106

Aluminum vanadium, AI45V7, a '-phase . 15m 108

Aluminum ytterbium, Al2Yb 15m 111

Aluminum yttrium, AI3Y 15m 112

Aluminium yttrium oxide, AIYO3 19m 7 Aluminium yttrium oxide, AI2Y4O9 .... 19m 9

Aluminium yttrium oxide, Al5Y30i2 ••• 19m 11

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

Vol. or

Sec. Page

Ammonium aluminum fluoride,

(NH4)3A1F6 9m 5 Ammonium aluminum selenate hydrate,

NH4Al(Se04)2*12H20 9m 6

Ammonium aluminum sulfate,

NH4A1(S04)2 10m 5

Ammonium aluminum sulfate hydrate

(tschermigite) , NH4A1(S04)2 * I2H2O 6 3

Ammonium azide, NH4N3 9 4

Ammonium beryllium fluoride,

(NH4)2BeF4 3m 5

Ammonium borate hydrate,

NH4B508-4H20 17m 7 Ammonium boron fluoride, NH4BF4 ... 3m 6

Ammonium bromide, NH4Br 2 49

Ammonium cadmium bromide, (NH4)4CdBre 15m 9

Ammonium cadmium chloride, NH4CdCl3 5m 6

Ammonium cadmium phosphate hydrate,

NH4CdP04-H20 19m 13

Ammonium cadmium sulfate,

(NH4)2Cd2(S04)3 7m 5

Ammonium cadmium sulfate hydrate,

(NH4)2Cd(S04)2'6H20 8m 5

Ammonium calcium sulfate,

(NH4)2Ca2 (304)3 8" 7 Ammonium cerium nitrate,

(NH4)2Ce(N03)6 18m 6

Ammonium chlorate, NH4CIO4

(orthorhombic) 7 6

Ammonium chloride (salammoniac)

,

NH4CI 1 59

Ammonium chromium sulfate hydrate,

NH4Cr(S04)2-12H20 6 7 Ammonium cobalt (II) chloride,

NH4C0CI3 6m 5

Ammonium cobalt fluoride, NH4Cor3 8m 9

Ammonium copper bromide hydrate,

(NH4)2CuBr4-2H20 10m 6

Ammonium copper chloride, NH4CUCI3 7m 7 Ammonium copper chloride hydrate,

(NH4)2CuCl4-2H20 12m 6

Ammonium copper fluoride, NH4CUF3 11m 8

Ammonium gallium sulfate hydrate,

NH4Ga(S04)2'12H20 6 9

Ammonium germanium fluoride,

(NH4)2GeF6 6 8

Ammonium hydrogen arsenate,

NH4H2ASO4 16m 9

Ammonium hydrogen carbonate

(teschemacherite) , (NH4)HC03 9 5

Ammonium hydrogen phosphate,

NH4H2PO4 4 64

Ammonium iodate, NH4IO3 10m 7 Aomioniiim iodide, NH4I 4 56

Ammonium iridium chloride,

(NH4)2lrCl6 8 6

Ammonium iron chloride hydrate,

(NH4)2FeCl5-H20 I4m 7 Ammonium iron fluoride, (NH4)3FeF6 9m 9

Ammonium iron sulfate, NH4Fe (804)2 lO"" ^ Ammonium iron sulfate hydrate,

NH4Fe(S04)2-12H20 6 10

Ammonium lead chloride, (NH4)2PbCl6 Hm 10

Ammonium magnesium aluminum fluoride,

NH4MgAlF6 10m 9

90
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Ammonium magnesium chromium oxide

hydrate, (NH4)2Mg(Cr04)2 •6H2O 8m 10

Ammonium magnesium phosphate hydrate

(struvite), NH4MgP04 •6H2O 3m 41

Ammonium manganese chloride hydrate,

(NH4)2MnCl4-2H20 11m 11

Ammonium manganese(II) fluoride,

NH4MnF3 5m 8

Aimnonium manganese sulfatef,

(NH4)2Mn2 004)3 7m 8

Ammonium manganese sulfate hydrate,

(NH4)2Mn(S04)2-6H20 8m 12

Ammonium mercury chloride, NH4HgCl3 8m 14

Anmionium molybdenum oxide phosphate

hydrate, (^4)3 (M0O3) 12PO4 •4H2O .. 8 10

Ammonium nickel(Il) 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 4

Ammonium osmium bromide, (NH4)20sBr6 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 14m 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 I4m 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

Ammoniimi tin chloride, (NH4)2SnCl6 5 4

Ammonium tin fluoride, NH4ShF3 .... 18m 8

Ammonium titanium fluoride,

(NH4)2TiF6 16m 10

Ammonium vanadium oxide, NH4VO3 ... 8 9

Ammonium zinc chloride, (NH4)3ZnCl5 15m 12

Ammonium zinc fluoride, NH4ZnF3 ... 8m 18

Ammonium zirconium fluoride,

(NH4)3ZrF7 6 14

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(III) 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(III) iodide, Sbl3 6 16

Antimony iron titanium oxide

hydroxide, derbylite,

SbFe4Ti30i3(0H) 16m 89

Antimony lanthanum, LaSb 4m 42

Antimony neodymium, NdSb 4m 43

Antimony(III) oxide (senarmontite)

,

Sb203 (cubic) 3 31

Antimony (III) oxide, valentinite,

Sb203 (orthorhombic) 10 6

Antimony(IV) oxide (cervantite)

,

Sb204 10 8

Antimony oxide, Sb60i3 I6m 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(III) sulfide (stibnite),

Sb2S3 5 6

Antimony telluride, Sb2Te3 3m 8

Antimony terbium, SbTb 5m 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, AsBr3 18m 9 Arsenic cerium, AsCe 4m 51

Arsenic(III) iodide, ASI3 13m 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.23Al2.46Ti5.540i6 18m 10

Bariimi 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, BaB80i3 7ra 10

Barium boride, BaBg 19m 18

Barium bromate hydrate,

Ba(Br03)2-H20 8m 19

Barium bromide, BaBr2 10m 63

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Barium bromide fluoride, BaBrF .... 10m 10

Barium bromide hydrate, BaBr2 •H2O 3m 10

Barium bromide hydrate, BaBr2*2H20 16m 16

Barium cadmium chloride hydrate,

BaCdCl4-4H20 15m 14

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,

, Ba2CaW0e 9m 10

Barium carbonate (witherite) , BaCOs

(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-H20 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 '21120 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 '21120 .. I6m 18

Barium lead chloride, BaPbCl4 11m 13

Barium lead nitrate,

Ba 33Pb^67(N03)2 12m 40

Barium lead nitrate,

Ba.67Pt.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,

BaNdgTigOio 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-BaSi03 13m 8

Barium silicate (sanbornite)

,

p-BaSiaOg 13m 10

Barium silicate, Ba2Si04 13m 12

Barium silicate, Ba2Si308 13m 13

Barium silicate, 6338105 13m 15

Barium silicate, 633815613 13m 17

Barium silicon fluoride, BaSiFg ... 4m 7 Barium strontium nitrate,

Ba.2sSr.75(N03)2 12m 42

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Barium strontium nitrate,

Ba,5oSr.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 hydrate,

638203 •H2O 16m 20

Barium tin oxide, 63Sn03 3m 11

63rium titanium oxide, 6aTi03 3 45

6arium titanium silicate (fresnoite),

632TiSi208 9m 14

63rium tungsten oxide, 6aW04 7 9

Barium tungsten oxide, Ba2W05 12m 14

Barium tungsten oxide, BasWOg 19m 21

Barium vanadium oxide, 6a3(V04)2 14m 10

63rium zirconium oxide, BsZrOs .... 5 8

Beryllium, slphs. Be 9m 64

Beryllium 3luminum oxide

(chrysoberyl) , BeAl204 9 10

6eryllium aluminum silicate, beryl,

Be3Al2 (8103)6 9 13

6eryllium calcium iron magnesium

aluminum phosphate hydroxide

hydrate, roscherite (monoclinic)

,

6e2Ca(Fe.3Mg,7)2Al,67(I'04)3(0H)3'2H20 I6m 96

6eryllium calcium mang3nese

3luminum iron phosph3te hydroxide

hydr3te, roscherite (triclinic),

Be4C32(Mn3,9iMg,04Ca.05)(Al.i3Fe,42

Mn.i2)(P04)6(0H)4'6H20 I6m 100

Beryllium calcium oxide,

Bei7C3i2029 7m 89

Beryllium carbide, Be2C 19m 23

Beryllium chromium oxide, BeCr204 10 12

8eryllium cobalt, 6eCo 5m 62

Beiryllium germanium oxide, Be2Ge04 10 13

8eryllium Isnthanum oxide, 6e2L3205 9m 65

6eryllium niobium, 6e2Nb 7m 92

Beryllium nitride, 6e3N2 18m 15

6eryllium oxide (bromellite) , 8e0 1 36

6eryllium palladium, 6ePd 5m 62

Beryllium silicate, phenakite,

Be28i04 8 11

6eryllium sulfate, eeS04 15m 20

Bismuth, Bi 3 20

Bismuth bromide oxide, BiOBr 8 14

Bismuth cerium, BiCe 4m 46

Bismuth chloride oxide (bismoclite)

,

BiOCl 4 54

Bismuth dysprosium, BiDy 4m 47

Bismuth erbium, 6iEr 4m 47

6ismuth fluoride, 8iF3 Im 7 Bismuth holmium, BiHo 4m 48

eismuth(III) iodide, 6il3 6 20

Bismuth iodide oxide, 8iOI 9 16

6ismuth lanthanum, 6iLa 4m 48

6ismuth neodymium, 6iNd 4m 49

6ismuth oxide (bismite) , 01-61203 . . 3m 17

Bismuth phosphate, 6iP04

(monoclinic) 3m 11

eismuth phosphate, 6iP04 (trigonal) 3m 13

6ismuth praseodymium, 6iPr 4m 49

Bismuth selenide (paragU3n3juatite)

,

Bi2Se3 18m 16

Bismuth sulfide (bismuthinite)

,

81283 5m 13

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Bismuth telluride, BiTe 4m 50

Bismuth telluride (tellurobismuthite) , Bi2Te3 3m 16

Bismuth vanadium oxide, high form,

BiV04 (monoclinic) 3m 14

Bismuth vanadium oxide, low form,

BiV04 (tetragonal) 3m 14

Boron oxide, B2O3, phase 1 10m 70

Cadmium, Cd 3 10

Cadmium ammine chloride,

Cd(NH3)2Cl2 10m 14

Cadmium borate, CdB407 I6m 24

Cadmium bromate hydrate,

Cd(Br03)-2H20 17m 14

Cadmium bromide, CdBr2 9 17

Cadmium bromide chloride, CdBrCl .. 11m 15

Cadmium carbonate (otavite), CdCOs 7 11

Cadmium cerium, CdCe 5m 63

Cadmium chlorate hydrate,

Cd(C104)2-6H20 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, Cd3Si05 13m 20

Cadmium sulfate, CdS04 3m 20

Cadmium sulfate hydrate, CdS04'H20 6m 10

Cadmium sulfate hydrate,

3CdS04-8H20 6m 8

Cadmium sulfide (greenockite) , CdS 4 15

Cadmium telluride, CdTe 3m 21

Cadmium titanium oxide, CdTi03 .... 15m 21

Cadmium tungsten oxide, CdW04 2m 8

Calcium, Ca 9m 68

Calcium aluminum germanium oxide,

Ca3Al2(Ge04)3 10 15

Calcium aluminum hydroxide,

Ca3Al2(0H)i2 lira 16

Calcium aluminum iron oxide

(brownmillerite) , Ca4Al2Fe20io ••• I6m 28

Calcium aluminum oxide, Ca3Al20e .. 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) 15ra 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),

CaCOg (orthorhombic) 3 53

Calcium carbonate (aragonite)

CaC03 (orthorhombic, calculated

pattern) 14m 44

Calcium carbonate (calcite),

CaCOa (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).05Til2.48Fe3.38Cr2!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 (fluorite), 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

Calcium hydroxide (portlandite)

Ca(0H)2 1 58

Calcium iodate (lautarite)

Ca(I03)2 14m 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 (andradite)

Ca3Fe2Si30i2 9 22

Calcium iron silicate

hydroxide, julgoldite,

Ca2Fe3Si30io(0H,0)2(0H)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

(diopside), CaMg(Si03)2 5m 17

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) I4m 49

Calcium oxide phosphate, Ca40(P04)2 12m 17

Calcium phosphate, p-Ca2P207 7m 95

Calcium platinum oxide, Ca4Pt06 ... 10m 18

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Calcium selenide, CaSe Sm 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, CaSn03 17m 18

Calcium titanium oxide

(perovskite) , CaTi03 9m 17

Calcium tungsten oxide, CasWOg .... 9m 19

Calcium tungsten oxide, scheelite,

CaW04 6 23

Carbon, diamond, C 2 5 Cerium arsenate, CeAs04 4m 8

Cerium(lII) chloride, CeCl3 Im 8

Cerium cobalt, CeCo2 13m 50

Cerium cobalt, Ce24Coii 13m 51

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(IV) oxide (cerianite), Ce02 1 56

Cerium phosphide, CeP 4m 52

Cerium tantalum oxide, CeTa04 18m 27

Cerium thallium, CeTl 13m 59

Cerium thallium. Cells 13m 60

Cerium thallium, Ce^Tl 13m 61

Cerium(III) vanadium oxide, CeV04 Im 9

Cerium zinc, CeZn 5m 65

Cerium zinc, CeZn^ I4m 50

Cerium zinc, CeZns 14m 53

Cerium zinc, Ce2Zni7 14m 55

Cesium aluminum sulfate hydrate,

CsAl(S04)2-12H20 6 25

Cesium antimony fluoride, CsSbFg .. 4m 9

Cesium beryllium fluoride, CsBeFs 9m 69

Cesium boron fluoride, CSBF4 8 22

Cesium bromate, CsBrOs 8 18

Cesium bromide, CsBr 3 49

Cesium cadmium bromide, CsCdBrs

(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, Cs2CeCle .. I4m 58

Cesium chlorate, CsClOg 8 20

Chromium, Cr 5 20

Chromium boride, t,-CrB 17m 22

Cesium chlorate, CSCIO4,

(orthorhombic) 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(II) chloride, CsCuCls 5m 22

Cesium copper chloride, CS2CUCI4 .. 11m 20

Cesium copper sulfate hydrate,

Cs2Cu(S04)2-6H20 7m 14

Cesium fluoride, CsF 3m 26

Cesium gallium sulfate hydrate,

CsGa(S04)2-12H20 8 23

Cesium germanium fluoride, Cs2GeFg 5 17

Cesium iodate, CSIO3 15m 26

Cesium iodide, Csl 4 47

Cesium iodide, CSI3 19m 33

Cesium iodine bromide, Csl2Br 7m 103

Cesium iodine chloride, CSICI2 .... 3 50

Cesium iron chloride hydrate,

Cs2FeCl5-H20 14m 14

Cesium iron sulfate hydrate,

Cs2Fe(S04)2'6H20 7m 16

Cesium iron sulfate hydrate,

CsFe(S04)2'12H20 6 28

Cesium lead(II) chloride, CsPbClg

(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,

Csx.45M8o.724Ti7.270i6 ISm 29

Cesium manganese fluoride, CsMnFs 10m 21

Cesium manganese sulfate hydrate,

Cs2Mn(S04)2-6H20 7m 20

Cesium mercury chloride, CsHgCls .. 7m 22

Cesium molybdenum oxide,

CS2M03O10 19m 35

Cesium nickel(ll) chloride, CsNiCls 6m 12

Cesium nickel sulfate hydrate,

Cs2Ni(S04)2'6H20 7m 23

Cesium nitrate, CsNOg 9 25

Cesium osmium(IV) bromide, Cs20sBrg 2m 10

Cesium osmium chloride, CS2OSCI6 -. 2m 11

Cesium platinum bromide, Cs2PtBr6 . 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, Cs2TeBre 9 24

Cesium tin chloride, Cs2SnCle 5 16

Cesium vanadium sulfate hydrate,

CsV(S04)2*12H20 Im 11

Cesium zinc sulfate hydrate,

Cs2Zn(S04)2 -61120 7m 25

Chromium, Cr 5 20

Chromium boride, ^-CrB 17m 22

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Chromium boride, CrB2 19m 37

Chromium boride, CrsBs 18m 30

Chromium chloride, CrCl2 Hn 77

Chromium chloride, CrCls 17m 23

Chromium chloride hydrate, CrCl3-6H20 I6m 31

Chromium cobalt niobium, CoCrNb . . . 15m 140

Chromium cobalt silicide,

CogCrisSig 1^" 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, Crsir 6m 14

Chromium iron oxide,

Cr1.3Feo.7O3 17m 24

Chromium niobium oxide, CrNb04 .... 19m 38

Chromium oxide, CrOs 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, CrsRh 6m 15

Chromium silicide, Cr3Si 6 29

Chromium sulfate, Cr2 (804)3 1^TM 33

Cobalt, Co (cubic) 4m 10

Cobalt aluminum oxide, C0AI2O4 .... 9 27

Cobalt ammine iodide, Co(NH3)6l3 •• 10m 83

Cobalt antimony oxide, CoSb206 .... 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, C03 (803)2 l^m 20

Cobalt bromide hydrate, CoBr2 -61120 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 I4m 64

Cobalt dysprosium, Co2Dy 13m 63

Cobalt erbium, Co2Er 13m 64

Cobalt erbium, Co7Er2 13m 65

Cobalt fluoride, C0F2 18m 31

Cobalt fluoride, C0F2 (calculated

pattern) 10m 85

Cobalt fluoride hydrate, CoF2*4H20 11m 24

Cobalt gadolinium, CoGds 13m 68

Cobalt gadolinium, Co2Gd 13m 71

Cobalt gadolinium, Co7Gd2 13m 72

Cobalt gallium hafnium, Co2GaHf . . . 14m 65

Cobalt gallium manganese, Co2GaMn 13m 75

Cobalt gallium niobium,

C01.5Gao.5Nb 15m 144

Cobalt gallium niobium, Co2GaNb ... I4m 66

Cobalt gallium oxide, CoGa204 10 27

Cobalt gallium tantalum,

C01.5Gao.5Ta 15m 146

Cobalt gallium tantalum, Co2GaTa 13m 76

Cobalt gallium titanium, Co2GaTi . . 13m 77

Cobalt gallium vanadium, Co2GaV . . . 13m 78

Cobalt germanium, Co3Ge2 l^ra 67

Cobalt germanium, Co^Gej 15m 148

Cobalt germanium hafnium,

CoieGeyHf^ 14m 69

Cobalt germanium manganese,

Co2GeMn 13m 79

Cobalt germanium niobium,

C01.5Geo.5Nb 15m 150

Cobalt germanium niobium,

CoieGeyNbe • l^m 71

Cobalt germanium oxide, Co2Ge04 ... 10 27

Cobalt germanium tantalum,

C01.5Geo.5Ta 15m 152

Cobalt germanium tantalum,

CoieGeyTae 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. Coins 13TM 81

Cobalt iodide, C0I2 4m 52

Cobalt iron arsenide

(safflorite) , CoFeAs4 10 28

Cobalt iron oxide, CoFe204 9m 22

Cobalt iron sulfide, CogFeSg I4m 77

Cobalt iron vanadium,

C04.35Fe13.47V12.i8 1^" 79

Cobalt lanthanum, CoLas 13m 83

Cobalt lutetium, C02LU 13m 86

Cobalt magnesium, Co2Mg 15m 156

Cobalt manganese silicide, Co2MnSi 14m 81

Cobalt mercury thiocyanate,

Co Hg(CNS)4 2m 13

Cobalt molybdenum, C02M0 I4m 82

Cobalt molybdenum, C02M03 15m 158

Cobalt molybdenum, CoyMog 15m 160

Cobalt molybdenum silicide,

Co3Mo2Si 15m 162

Cobalt neodymium, Co2Nd 13m 87

Cobalt nickel tin,

C0.75Ni.75Sn.75 13m 88

Cobalt niobium silicide, Co3Nb4Si7 15m 164

Cobalt niobium tin, Co2NbSn 15m 166

Cobalt nitrate hydrate,

a-Co(N03)2-6H20 12m 22

Cobalt(II) oxide, CoO 9 28

Cobalt(II,lII) oxide, C03O4 9 29

Cobalt phosphate, Co(P03)2 13m 23

Cobalt phosphate hydrate,

Co3(P04)2*8H20 19m 40

Cobalt phosphide, CoP 14m 83

Cobalt phosphide, C0P3 I4m 85

Cobalt phosphide, C02P 18m 32

Cobalt platinum, CoPt (disordered) 15m 167

Cobalt platinum, CoPt (ordered) ... 15m 168

Cobalt platinum, CoPts

(disordered) 15m 169

Cobalt platinum, CoPts (ordered) .. 15m 170

Cobalt Plutonium, C0PU2 14m 87

Cobalt Plutonium, C0PU3 15m 171

Cobalt Plutonium, CoPue I4m 89

Cobalt Plutonium, C02PU I4m 91

Cobalt Plutonium, C03PU I4m 92

Cobalt Plutonium, C017PU2 I4m 94

Cobalt praseodymium, Co2Pr l4m 97

Cobalt rhodium sulfide, CogRhSg ... I4m 98

Cobalt ruthenium sulfide, CogRuSg . I4m 100

Cobalt samarium, Co2Sm 15m 173

Cobalt samarium, Co5Sm 13m 90

Cobalt silicate, Co2Si04

(orthorhombic) 4m 11

95
Vol. or

Sec. Page

Cobalt silicon fluoride hydrate,

CoSiF6-6H20

Cobalt sulfate, p-CoS04

Cobalt tantalum silicide,

CoigTagSiy

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,

CoieTieSi?

Cobalt tungsten oxide, C0WO4

Cobalt vanadium silicide, Co2VSi .. Copper, Cu

Copper ammine selenate,

Cu(NH3)4Se04

Copper ammine sulfate hydrate,

Cu(NH3)4S04'H20

Copper antimony oxide, CuSb206 .... Copper arsenate (trippkeite)

,

CUAS2O4

Copper (I) bromide, CuBr

Copper(I) chloride (nantokite)

,

CuCl

Copper chloride hydrate

(eriochalcite) , CuClz'ZHgO

Copper fluoride hydrate, Cui'2*2H20

Copper hydrogen phosphite hydrate,

CuHP03-2H20

Copper hydroxide carbonate,

azurite, Cu3(0H)2 (C03)2

Copper hydroxide carbonate

(malachite), Cu2(0H)2C03

Copper hydroxide phosphate

(libethenite) , Cu2(0H)P04

Copper(I) iodide (marshite), Cul .. Copper lead hydroxide sulfate,

linarite, CuPb (OH) 2(804)

Copper(I) oxide (cuprite), CU2O ... Copper(II) oxide (tenorite) , CuO .. Copper phosphate, Cu(P03)2

Copper phosphate, 0(-Cu2P207

Copper sulfate (chalcocyanite)

,

CUSO4

Copper(II) sulfide (covellite), CuS

Copper uranium oxide, CUUO4

Dichlorotetraaquochromium (III)

chloride dihydrate

,

Cr(H20)4Cl2 C1-2H20

Dysprosium arsenate, DyAs04

Dysprosium arsenide, DyAs

Dysprosium gallium oxide,

DysGasOia

Dysprosium gold, DyAu

Dysprosium nitride, DyN

I>ysprosium 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

3m 27

2m 14

14m 102

12m 64

13m 92

15m 30

15m 174

15m 175

4m 13

14m 104

4m 13

15m 176

1 15

10m 87

10m 90

5m 27

16m 120

4 36

4 35

18m 33

11m 25

11m 83

10 30

10 31

17m 30

4 38

16m 34

2 23

1 49

14m 15

7m 113

3m 29

4 13

10m 93

16m 31

3m 30

4m 53

2m 15

5m 66

4m 53

9 30

5m 66

4m 54

4m 15

3m 31

4m 54

Im 12

19m 42

2m 16

4m 55

8 25

Vol. or

Sec. Page

Erbium phosphate, ErP04 9 31

Erbium silver, ErAg 5m 67

Erbium telluride, ErTe 4m 55

Erbium vanadium oxide, ErV04 5m 29

Europium arsenate, EUASO4 3m 32

Europium(III) chloride, EUCI3 Im 13

Europium chloride oxide, EuClO .... Im 13

Europium gallium oxide,

Eu3Ga50i2 2m 17

Europium nitride, EuN 4m 56

Europium oxide, EuO 4m 56

Europium phosphate, EUPO4 11m 26

Europium(III) vanadium oxide, EUVO4 4m 16

Gadolinium arsenate, GdAs04 4m 17

Gadolinium arsenide, GdAs 4m 57

Gadolinium chloride hydrate,

GdCl3-6H20 7m 118

Gadolinium chloride oxide, GdClO .. Im 17

Gadolinium fluoride, GdFs Im 14

Gadolinium gallium oxide,

Gd3Ga50i2 2m 18

Gadolinium indium, Gdln 5m 67

Gadolinium nitride, GdN 4m 57

Gadolinium oxide, Gd203 Im 16

Gadolinium silver, GdAg 6m 87

Gadolinium titanium oxide, Gd2Ti05 8m 32

Gadolinium vanadium oxide, GdV04 .. 5m 30

Gallium, Ga 2 9

Gallium arsenide, GaAs 3m 33

Gallium lutetium oxide, Ga5Lu30i2 2m 22

Gallium magnesium, Ga2Mg 12m 48

Gallium magnesium, Ga5Mg2 12m 51

Gallium neodymium oxide, Ga5Nd30i2 1TM 34

Gallium oxide, 0(-Ga203 4 25

Gallium phosphate (of-quartz type),

GaP04 8 27

Gallium phosphate hydrate,

GaP04-2H20 8m 34

Gallium samarium oxide, Ga5Sm30]^2 ^2

Gallium ytterbium oxide, Ga5Yb30i2 ^9

Galliimi yttrium oxide, Ga5Y30i2 ••- 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, AiiNb3 6m 16

Gold potassium cyanide, AuK(CN)2 8m 36

Gold tin, AuSn 7 19

Gold titanium, AuTia 6m 17

Gold vanadium, AUV3 6m 18

Hafnium, Hf 3 18

Hafnium nitride, HfN 19m 46

Holmium arsenate, H0ASO4 3m 34

Holmium fluoride, H0F3 10m 23

Holmium nitride, HoN 4ra 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

96
Vol. or

Sec. Page

Vol. or

Sec. Page

Hydrogen arsenate, H5AS3O10 7m 84

Hydrogen borate, P-HBO2 (monoclinic) 9m 71

Hydrogen borate (metaborite)

,

HBO2 (cubic) 4m 27

Hydrogen iodate, HIO3 5 28

Hydrogen iodate, HIsOg 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, IrNb3 6m 19

Iridium oxide, Ir02 4m 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, FeCOs ... 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)S04-2H20 10m 95

Iron iodide, Fel2 4m 60

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 sulfate, Fe2(S04)3 I6m 39

Iron sulfate hydrate (melanterite)

,

FeS04-7H20 8m 38

Iron sulfide (pyrite), FeSa 5 29

Iron thorium, Fei7Th2 -.. 12m 67

Iron titanium oxide (ilmenite),

FeTi03 15m 34

Iron yttrium oxide, Fe5Y30i2 18m 38

Lanthanum arsenate, LaAs04 3m 36

Lanthanum arsenide, LaAs 4m 60

Lanthanum borate, LaB03 Im 20

Lanthanum chloride, LaCl3 Im 20

Lanthanum chloride oxide, LaClO ... 7 22

Lanthanum fluoride, LaFs 7 21

Lanthanum magnesium, LaMg 5m 69

Lanthanum nickel platinum,

LaNio.2 5Pt4,7 5 17m 42

Lanthanum niobium titanium oxide,

LaNbTiOe 3m 37

Lanthanum nitrate hydrate,

La(N03)3'6H20 8m 40

Lanthanum nitride, LaN 4m 61

Lanthanum oxide, La203 3 33

Lanthanum phosphide, LaP 5m 69

Lanthanum selenide, LaSe 4m 61

Lanthanum titanium oxide, La2Ti207 15m 35

Lanthanum zinc, LaZn 5m 70

Lead, Pb 1 34

Lead borate, PbB407 4m 19

Lead bromide, PbBr2 17m 43

Lead bromide chloride, PbBrCl 11m 33

Lead bromide fluoride, PbBrF 10m 25

Lead bromide hydroxide, PbBr(OH) .. I6m 40

Lead bromide oxide, Pb302Br2 5m 32

Lead carbonate (cerussite) , PbC03 2 56

Lead chloride (cotunnite), PbCl2 .. 12m 23

Lead chloride fluoride (matlockite)

,

PbClF 13m 25

Lead chromium oxide, Pb2Cr05 I4m 16

Lead fluoride, a-PbF2

(orthorhombic) 5 31

Lead fluoride, p-PbF2 (cubic) 5 33

Lead fluoride iodide, PbFI 10m 26

Lead hydrogen arsenate (schultenite)

,

PbHAs04 14m 18

Lead hydrogen phosphate, PbHP04 ... 15m 37

Lead hydroxide phosphate,

Pb50H(P04)3 8 33

Lead iodate, Pb (103)2 17m 45

Lead(II) iodide, Pbl2 5 34

Lead molybdenum oxide (wulfenite)

,

PbMo04 7 23

Lead nitrate, Pb(N03)2 5 36

Lead oxide (litharge), PbO (red,

tetragonal) 2 30

Lead oxide (massicot), PbO (yellow,

orthorhombic) 2 32

Lead(II,III) oxide (minium), Pb304 8 32

Lead oxide sulfate, Pbs05S04 10m 27

Lead selenide (clausthalite) , PbSe 5 38

Lead strontium nitrate,

Pl».33Sr.67(N03)2 12m 53

Lead strontium nitrate,

Pb,67Sr.33(N03)2 12m 53

Lead sulfate (anglesite) , PbS04 ... 3 67

Lead sulfide (galena), PbS 2 18

Lead tin oxide, Pb2Sn04 10m 29

Lead titanium oxide (macedonite)

,

PbTiOg 5 39

Lead tungsten oxide (stolzite)

,

PbW04 (tetragonal) 5m 34

Lead uranium oxide, Pb3U06 8m 109

Lithium aluminum fluoride,

a-LigAlFe 8m 111

Lithium arsenate, Li3As04 2m 19

Lithium azide, LiN3 8m 113

Lithium barium fluoride, LiBaFs ... 5m 35

Lithium beryllium fluoride, Li2BeF4 7m 126

Lithium borate, Li2B407 8m 114

Lithium bromide, LiBr 4 30

Lithium calcium aluminum boron

hydroxy silicate, liddicoatite

,

Ca(Li,Al)3Al6B3Si6027(0,0H)3(0H,F) 16m 42

Lithium carbonate, Li2C03 8m 42

Lithium chlorate hydrate,

LiC104-3H20 8 34

Lithium chloride, LiCl 1 62

Lithium chromium oxide hydrate,

Li2Cr04-2H20 16m 44

Lithium fluoride, LiF 1 61

Lithium gallium oxide, LiGa02 10m 31

97
Lithium hydroxide, LiOH

Lithium hydroxide hydrate, LiOH*H20

Lithium iodate, LilOs (hexagonal)

Lithium iodate, LilOs (tetragonal)

Lithium iodide hydrate, LiI*3H20 .. Lithium molybdenum oxide, Li2Mo04

(trigonal)

Lithium niobium oxide, LiNbOs

Lithium nitrate, LiNOs

Lithium oxide, Li20

Lithium phosphate, high form, Li3P04

Lithium phosphate, low form

Clithiophosphate) , Li3P04

Lithium phosphate hydrate,

Li3P309-3H20

Lithium potassium sulfate, KLiS04

Lithium rubidium fluoride, LiRbF2

Lithium selenide, Li2Se

Lithium silicate, Li2Si03

Lithium silver bromide,

Li,2Ag.8Br

Lithium silver bromide, Li^4Ag gBr

Lithium silver bromide,

I'i.6Ag.4Br

Lithium silver bromide,

Li.gAg.aBr

Lithium sodium aluminum fluoride,

cryolithionite , Li3Na3Al2Fi2

Lithium sodium sulfate, LiNaS04 ... Lithium sulfate, Li2S04

Lithium sulfate hydrate,

Li2S04-H20

Lithium sulfide, Li2S

Lithium tantalum oxide, LiTa03 .... Lithium telluride, Li2Te

Lithium tin oxide, Li2Sn03

Lithium tungsten oxide, Li2W04

(trigonal)

Lithium tungsten oxide hydrate,

Li2W04-0.5H20

Lithium uranium fluoride, LillFs ... Lithium zirconium oxide, Li2Zr03 .. Lutetium arsenate, LUASO4

Lutetium manganese oxide, LuMnOs .. Lutetium nitride, LuN

Lutetium oxide, LU2O3

Lutetium vanadium oxide, LUVO4 .... Magnesium, Mg

Magnesium aluminum oxide (spinel),

MgAl204

Magnesium aluminum silicate (low

cordierite) , Mg2Al4Si50ig

(orthorhombic)

Magnesium aluminum silicate

(indialite) Mg2Al4Si50i8

(hexagonal)

Magnesium aluminum silicate

(pyrope), MggAlg (8104)2

Magnesium arsenate hydrate

(hoernesite) , Mg3(As04)2 •8H2O

Magnesium borate, MgB407

Magnesium borate, Mg2B205

(triclinic)

Magnesium bromide, MgBr2

Magnesium bromide hydrate,

MgBr2-6H20

Magnesium carbonate (magnesite),

MgCOa

voi. or

Sec. Page

17m 46

11m 92

7 26

ium Jo

18m 40

Im 23

6m 22

7 27

im 25

3m 39

4m 21

2m 20

3m 43

7m 128

lUm 100

14m 19

Izm 55

12m 55

12m 55

12m 55

9m 23 om

6m 26

4m 22

10m 101

14m 20

lUm

16m 45

Im 25

2m 20

7m 131

19m 51

5m 36

2m 23

4m 62

Im 27

5m 37

1 10

9m 25

Im 28

Im 29

4m 24

19m c 0 53

17m 47

4m 25

4m 62

11m 35

7 28

Vol. or

Sec. Page

Magnesium cerium nitrate hydrate,

MgoCeo(NOq) 19 -241190 10 20

Magnesium chlorate hydrate,

Me(C104)9'6HoO 7m 30

Magnesium chloride (chloromagnesite) , MgCl2 11m 94

Magnesium chloride hydrate.

MgCl9-12HoO 7m 135

Magnesium chloride hydrate

(bischofite) , 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), MevFoSioOio Im 30

Magnesium fluoride silicate

(norbereite) . Me-jF^SiO/i 10 39

Magnesium gallium oxide, MgGa204 .. 10 36

Magnesium germanium oxide.

MgoGeOd (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(103)2-4H20 17m 48

Magnesium iron hydroxide carbonate

hydrate, pyroaurite,

Mg6Fe2(0H)i6C03-4H20 (rhomb.)

Magnesium iron hydroxide carbonate

hydrate, sjogrenite,

Mg6Fe2(0H)i6C03-4H20, (hexag.) ... Magnesium lanthanum nitrate

hydrate, Mg3La2 (NO3) 12 •24H2O

Magnesium manganese oxide, MgMn204

Magnesium mercury, MgHg

Magnesium molybdenum oxide, MgMo04

Magnesium nickel oxide, MgNi02 .... Magnesium oxide (periclase) , MgO .

Magnesium phosphate, Mg(P03)2

Magnesium phosphate, a-Mg2P207 .... Magnesium phosphate (f arringtonite)

,

Mg3(P04)2

Magnesium selenide, MgSe

Magnesium selenite hydrate,

MgSe03-6H20

Magnesium silicate, enstatite,

MgSi03

Magnesium silicate (forsterite)

,

Mg2Si04

Magnesium sulfate hydrate

(kieserite), MgS04'H20

Magnesium sulfate hydrate

(epsomite), MgS04-7H20

Magnesium sulfide, MgS

Magnesium sulfite hydrate,

MgSOa-eHgO

Magnesium tin, Mg2Sn

Magnesium tin oxide, Mg2Sn04

Magnesium titanium oxide

(geikielite) , MgliOg

Magnesium titanium oxide, Mg2Ti04

Magnesium tungsten oxide, MgW04 ... Manganese, a-Mn (calculated pattern)

Manganese, a-Mn

10m 104

10m 103

Im

10m

6m

7m

10m

1 13m

18m

19m

5m

8m

6

1

16m

7

7

9m

5 10m

5 12m

13m

7m

17m

22

35

84

28

36

37

26

41

55

70

116

32

83

46

30

31

26

41

37

43

25

27

142

50

98
Manganese, p-Mn

Manganese aluminum oxide (galaxite),

MnAl204

Manganese bromide, MnBr2

Manganese(II) carbonate

(rhodochrosite) , MnCOs

Manganese chloride (scacchite),

MnCl2

Manganese chloride hydrate,

MnCl2-2H20

Manganese chloride hydrate,

MnClg'AHgO

Manganese cobalt oxide, MnCo204 ... Manganese fluoride, Mnl"2 Manganese iodide, Mnl2

Manganese iron oxide (jacobsite),

MnFe204

Manganese(II) oxide (manganosite)

,

MnO

Manganese oxide (pyrolusite) , p-Mn02

Manganese oxide (bixbyite), a-Mn203

Manganese oxide (hausmannite)

,

Mn304

Manganese oxide hydroxide, groutite,

a-MnOOH

Manganese phosphate, Mn(P03)2

Manganese phosphate, Mn2P207

Manganese phosphate, Mn3(P04)2 .... Manganese selenide, MnSe

Manganese sulfate hydrate

(szmikite), MnS04-H20

Manganese sulfide (alabandite)

,

a-MnS

Manganese titanium oxide

(pyrophanite) , MnTiOs

Manganese(II) tungsten oxide

(huebnerite) , MnW04

Manganese vanadium oxide, Mn2V207

Mercury amide chloride, HgNH2Cl ... Mercury ammine chloride,

Hg(NH3)2Cl2

Mercury bromate, Hg(Br03)2

Mercury bromide, HgBr2

Mercury bromide, Hg2Br2

Mercury chloride, HgCl2

Mercury chloride (calomel),

Hg2Cl2

Mercury chloride sulfide,

a-HgaClgSa

Mercury (II) cyanide, Hg(CN)2

Mercury(II) fluoride, HgF2

Mercury hydroxide nitrate,

Hg(OH)N03

Mercury(l) iodide, Hgl

Mercury(II) iodide, Hgl2 (tetragonal)

Mercury(II) oxide (montroydite)

,

HgO

Mercury(II) selenide (tiemannite)

,

HgSe

Mercury sulfate, HgS04

Mercury sulfate, Hg2S04

Mercury(II) sulfide (cinnabar),

HgS (hexagonal)

Mercury(II) sulfide (metacinnabar)

,

HgS (cubic)

Molybdenum, Mo

Molybdenum arsenide, M02AS3

Molybdenum osmium, M03OS

Molybdenum oxide, M0O2

Vol. or

Sec. Page

18m 43

g 4m 63

7 32

8m 43

11m 38

9m 28

9m 30

1 0"^ 1 \JO

4m 63

9 36

5 45

J. UUl 11m 95

10m 38

11m 97

14m 21

15m 41

J. 0111 A7*t / 10 41

16m 49

4 11

15m 42

2m 24

lOm 40

11m 39

10m 107

10m 110

7 13m 29

13m 30

8m 118

\j 2m 25

17m 52

H 4Q

7m 32

9 39

7 35

16m 52

4 17

4 21

1 20

10m 115

6m 28

18m 44

Vol. or

Sec. Page

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, NdF3 8 36

Neodymium oxide, Nd203 4 26

Neodymium phosphate, NdP04 11m 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

(gersdorffite) , NiAsS Im 35

Nickel bromide, NiBr2 10m 119

Nickel(ll) carbonate, NiC03

(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(ll) 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 (nickelhexahydrite) , p-NiS04-6H20

(monoclinic) 19m 65

Nickel sulfide, millerite, NiS .... Im 37

Nickel titanium oxide, NiTi03 18m 54

Nickel tungsten oxide, NiW04 2m 27

Nickel yttrium, Ni3Y 10m 123

Niobium, Nb (monoclinic) 19m 67

Niobium boride, ^-NbB 17m 54

Niobium chloride oxide, NbCl30 .... 7m 148

Niobium osmium, NbsOs 6m 30

Niobium platinum, Nb3Pt 6m 31

Niobium silicide, NbSi2 8 39

Niobium silicide, a-NbgSis 15m 43

Niobium silicide, p-NbsSis 15m 44

Osmium, Os 4 8

99
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Osmium titanium, OsTi 6m 85

Palladium, Pd 1 21

Palladium hydride, PdHo.yoe 5m 72

Palladium oxide, PdO . .

'. 4 27

Palladium selenium (palladseite)

,

PdivSejs 16m 139

Palladium vanadium, PdVs 6m 32

Phosphorus bromide, PBry 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, PtVs 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,

KAsFg 17m 57

Potassium barium chromium oxide,

K2Ba(Cr04)2 14m 23

Potassium barium iron titanium

oxide, Ki^ieBao. 72^60. seTis.ssOis 16m 1^7

Potassium barium molybdenum oxide,

K2Ba(Mo04)2 14m 24

Potassium barium nickel nitrite,

K2BaNi(N02)6 9m 32

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, KBrOs 7 38

Potassium bromide, KBr 1 66

Potassium bromide chloride,

KBro.sClo.s 8" ^6

Potassium bromide iodide,

KBr^33l^67 11"° Potassium bromide iodide, KBr g?!. 33 ^5

Potassium cadmium fluoride, KCdFs 8m 47

Potassium cadmium sulfate,

KgCdg (564)3 ''m 34

Potassium calcium carbonate

(fairchildite), K2Ca(C03)2 8m 48

Potassium calcium chloride, KCaCls 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(S04)2 •H2O I4m 25

Potassium cerium fluoride, p-KCeF4 12m 59

Potassium chlorate, KCIO3 3m 42

Potassium chlorate, KCIO4 6 43

Potassium chloride (sylvite) , KCl 1 65

Potassium chromium oxide, KsCrOg .. 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(S04).33 12m 27

Potassium chromium sulfate,

KCr (804)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,

K2C02 (804)3 6m 35

Potassium copper chloride, KCUCI3 7m 41

Potassium copper chloride hydrate

(mitscherlichite) , K2CUCI4 -21120 .. 9m 34

Potassium copper(II) fluoride,

KCuFs 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,

KzGeFg 6 41

Potassium hydrogen arsenate,

KH2ASO4 Im 38

Potassiiim hydrogen iodate,

101(103)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)5 9m 35

Potassium iron cyanide, K4Fe(CN)6 18m 56

Potassium iron(II) fluoride, KFeF3 6m 39

Potassium iron fluoride, KsFeFg ... 9m 37

Potassium iron sulfate (yavapaiite)

,

KFe (304)2 16m 59

Potassium lead chloride, KPbaClg .. 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 15m 52

Potassium lead sulfate (palmierite)

,

KaPb (804)2 1^" 30

Potassium magnesium chloride

hydrate (carnallite) , KMgCl3-6H20 8m 50

Potassium magnesium chromiiam oxide,

K2Mg2(Cr04)3 8m 52

Potassium magnesium fluoride, KMgFs 6m 42

Potassium magnesium fluoride, K2MgF4 10m 42

Potassium magnesium selenate

hydrate, K2Mg(Se04)2 •6H2O 10m 43

Potassium magnesium sulfate

(langbeinite) , K2Mg2 (804)3 6m 40

Potassium magnesium sulfate hydrate

(picromerite) , K2Mg(S04)2 •6H2O 8m 54

Potassium manganese (II) fluoride,

KMnFj 6m 45

100
Vol. or

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Potassium manganese oxide, KMn04

Potassium manganese (II) sulfate

(manganolangbeinite) , K2Mn2(S04)3

Potassium molybdenum oxide, K2M0O4

Potassium molybdenum oxide phosphate hydrate, K3(Mo03)i2P04*^H20

Potassium nickel fluoride, KNiFs

Potassium nickel fluoride, K2NiF4

Potassium nickel(II) sulfate,

K2Ni2 (804)3

Potassium niobium fluoride, K2lfbF7

Potassium niobium oxide, KNbOs .... Potassium nitrate (niter) , KNO3 . .

Potassium nitrite, KNO2

Potassium nitrosyl ruthenium

chloride, K2NORUCI5

Potassium oxide, K2O

Potassium platinum bromide, K2PtBrg

Potassium platinum chloride,

K2PtCl6

Potassium platinum fluoride, K2PtF6

Potassium rhenium chloride, K2ReCl6

Potassium rhenium oxide, KRe04 .... Potassium rubidium chloride,

Kq.s^^o.s^I

Potassium rubidium chromium oxide,

KRbCr04

Potassium ruthenium chloride,

K2RUCI6

Potassium ruthenium oxide chloride

hydrate, K4Ru20Clio*H20

Potassium selenate, K2Se04

Potassium selenide, K2Se

Potassium selenium bromide, K2SeBre

Potassium silicon fluoride

(hieratite), K2SiF6

Potassium silver cyanide, KAg(CN)2

Potassium sodium aluminum fluoride

(elpasolite) , KgNaAlFg

Potassium sodium bromide,

K^gNa.gBr

Potassium sodium bromide,

K.4Na.6Br

Potassium sodium bromide,

K.6Na.4Br

Potassium sodium bromide,

K^8Na^2Bj^

Potassium sodium chloride,

K.aNa.gCl

Potassium sodium chloride,

K^4Na^6Cl

Potassium sodium chloride,

K.6Na.4Cl

Potassium sodium chloride,

K 8Na,2Cl

Potassium sodium sulfate,

K.67Nai.33S04

Potassium sodium sulfate, KNaS04 .. Potassium sodium sulfate

(aphthitalite) , K3Na(S04)2

Potassium strontium chromium oxide,

K2Sr(Cr04)2

Potassium strontium phosphate,

KSrP04

Potassium strontium selenate,

K2Sr(Se04)2

Potassium strontium sulfate

(kalistrontite) , K2Sr(S04)2

Potassium sulfate, K2S2O7

7 42

6m 43

1 Ski •J -J

8 43

7m 42

10m 45

46

8m 120

17m 62

3 58

38

16m 61

10m 125

8 40

13m 34

42

2m 28

g 41

8m 76

12m 29

10 46

10 47

9m 41

10m 126

8 41

5 50

8m 78

9m 43

12m 62

12m 62

62

12m 62

12m 63

12m 63

12m 63

6m 48

6ID SO

yjiu

J I

19m 71

15m 58

14m 31

9m 99

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 tungsten oxide, K2WO4 ... Potassium vanadium oxide, KVO3 .... Potassium vanadium oxide, KV3O8 ... Potassium zinc bromide hydrate,

KZnBr3-2H20

Potassium zinc fluoride, KZnF3 .... Potassium zinc fluoride, K2ZnF4 ... Potassium zinc iodide hydrate,

KZnl3«2H20

Potassium zinc sulfate, K2Zn2 (804)3

Potassium zinc sulfate hydrate,

K2Zn(S04)2*6H20

Potassium zinc vanadium oxide

hydrate, K2Zn2Vio028 ' l^^a*-* Potassium zirconium fluoride,

K3ZrF7

Praseodymium arsenate, PrAs04

Praseodymium arsenide, PrAs

Praseodymium chloride, PrCl3

Praseodymium chloride oxide, PrOCl

Praseodymium fluoride, PrFs

Praseodymium sulfide, PrS

Praseodymium vanadium oxide, PrV04

Praseodymium zinc, PrZn

Rhenium, Re

Rhodium, Rh

Rhodium vanadium, RhV3

Rubidium aluminum sulfate

hydrate, RbAl(804)2 •I2H2O

Rubidium amide, RbNH2

Rubidium barium chromium oxide,

Rb2Ba(Cr04)2

Rubidium barium molybdenum oxide,

Rb2Ba(Mo04)2

Rubidium bromate, RbBr03

Rubidium bromide, RbBr

Rubidium cadmium chloride, high

form, RbCdCl3 (tetragonal)

Rubidium cadmium chloride,

low form, RbCdCl3 (orthorhombic)

Rubidium cadmium sulfate,

Rb2Cd2(S04)3

Rubidium calcium chloride, RbCaCls

Rubidium calcium fluoride, RbCaFs

Rubidium calcium sulfate,

Rb2Ca2 (804)3

Rubidium chlorate, RbC103

Rubidium chlorate, RbC104

Rubidium chloride, RbCl

Rubidium chromium oxide, Rb2Cr04 .

Rubidium chromium oxide, Rb2Cr207

Rubidium chromium sulfate hydrate,

RbCr(S04)2-12H20

Rubidium cobalt(II) chloride,

RbCoClg

Rubidium cobalt fluoride, RbCoFs .. Rubidium cobalt sulfate,

Rb2CO2(S04)3

Rubidium copper chloride hydrate,

Rb2CuCl4-2H20

Rubidium copper sulfate hydrate,

Rb2Cu(S04)2-6H20

17m 64

3 62

10m 127

10m 128

8 44

6 38

7 40

11m 47

18m 57

8m 56

11m 104

5 51

10m 46

11m 107

6in 54

7m 43

3m 45

9 46

4m 32

4m 67

Im 39

9 47

5 52

4m 67

5m 40

5m 72

2 13

•J 9

6m 56

6 44

5m 73

I4m 32

15m 59

8 45

7 43

5m 43

5in 41

7m 45

7m 47

8m 57

7m 48

ft 47

2m 30

A 41

3m 46

15m 60

6 47

6m 57

OUI S8

8m 59

10m 47

8m 61

101
Vol. or

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Rubidium fluoride, RbF 8m 63

Rubidium iodate, RblOs 15m 62

Rubidium iodate, Rbl04 2m 31

Rubidium iodide, Rbl 4 43

Rubidium iron chloride hydrate,

RbaFeCls-HgO 14m 33

Rubidium iron sulfate hydrate,

Rb2Fe(S04)2-6H20 8m 64

Rubidium lead chromium oxide,

Rb2Pb(Cr04)2 . 14m 34

Rubidium lead molybdenum oxide,

Rb2Pb{Mo04)2 15m 63

Rubidium magnesium chromium oxide,

^Rb2Mg2(Cr04)3 8m 66

Rubidium magnesium chromium oxide

hydrate, Rb2Mg(Cr04)2-6H20 8m 68

Rubidium magnesium sulfate,

Rb2Mg2 (304)3 7m 50

Rubidium magnesium sulfate

hydrate, RbgMg (804)2 '61120 8m 70

Rubidium manganese (II) fluoride,

RbMnFa 5m 44

Rubidium manganese sulfate,

Rb2Mn2 (304)3 7m 52

Rubidium nickel (II) chloride,

RbNiCl3 6m 58

Rubidium nickel sulfate,

Rb2Ni2 (304)3 8n> 72

Rubidium nickel sulfate hydrate,

Rb2Ni(S04)2-6H20 8m 74

Rubidium nitrate, RbNOs (trigonal) 5m 45

Rubidium platinum chloride,

Rb2PtCl6 5 53

Rubidium platinum fluoride, Rb2PtF6 6 48

Rubidium selenate, Rb23e04 9m 44

Rubidium silicon fluoride, Rb2SiF6 6 49

Rubidium strontium chloride,

RbSrCla 7m 54

Rubidium strontium chromium oxide,

Rb23r(Cr04)2 15m 64

Rubidium strontium sulfate,

Rb2Sr(S04)2 15m 65

Rubidium sulfate, Rb2S04 8 48

Rubidium tellurium bromide,

Rb2TeBr6 8 46

Rubidium tellurium chloride,

Rb2TeCl6 8 48

Rubidium tin chloride, Rb2SnClg ... 6 46

Rubidium zinc fluoride, RbZnF3 .... 7m 57

Rubidium zinc sulfate hydrate,

Rb2Zn(S04)2-6H20 7m 55

Ruthenium, Ru 4 5

Ruthenium titanium, RuTi 6m 86

Samarium arsenate, 3mAs04 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, 3C2O3 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, p-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, AgBrOs 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'AgI (cubic) 9 48

Silver manganese oxide, AgMn04 .... 7m 155

Silver mercury iodide, p-Ag2Hgl4 .. 17m 67

Silver molybdenum oxide, Ag2Mo04 .. 7 45

Silver nitrate, AgNOg 5 59

Silver nitrite, AgN02 5 60

Silver oxide, Ag20 Im 45

Silver(II) oxide nitrate, Ag708N03 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),

AggTe 19m 73

Silver terbium, AgTb 5m 74

Silver thiocyanate, AgCNS 16m 62

Silver thulium, AgTm 5m 74

Silver yttrium, AgY 5m 75

Sodium, Na 9m 105

Sodium aluminum chloride silicate,

sodalite, Na8Al6Cl2 (8104)6 7m 158

Sodium aluminum fluoride (chiolite),

Na5Al3Fi4 16m 63

Sodium aluminum oxide, p-NaA102 ... 18m 62

Sodium aluminum sulfate hydrate

(soda alum), NaAl (804)2 •I2H2O ISm 68

Sodium azide, a-NaN3, at -90 to

-100 °C 8m 129

Sodium azide, p-NaNg 8m 130

Sodium barium phosphate, NaBaP04 .. 19m 75

Sodium beryllium calcium aluminum

fluoride oxide silicate, meliphanite,

(Nao.63Cai.37)Be(Alo.i33ii.87)

(F0.75O6.25) 135

102
Vol. or

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Sodium beryllium calcium fluoride

silicate, leucophanite

NaBeCaFSiaOg

Sodium borate, NaB02

Sodium borate, Na2B407

Sodium borate, Na2B80i3

Sodium borate hydroxide hydrate

(borax), Na2B405(0H)4 -SHaO

Sodium boron hydride, NaBH4

Sodium bromate, NaBrOs

Sodium bromide, NaBr

Sodium bromide chloride,

NaBr.33Cl.67

Sodium bromide chloride,

NaBr.67Cl.33

Sodium calcium aluminum fluoride

hydrate, thomsenolite

NaCaAir6*H20

Sodium calcium carbonate hydrate,

pirssonite, Na2Ca(C03)2 •2H2O

Sodium calcium phosphate, p-NaCaP04

Sodium calcium silicate, Na2CaSi04

Sodium calcium sulfate (glauberite)

Na2Ca(S04)2

Sodium carbonate hydrate (thermonatrite), Na2C03-H20

Sodium carbonate sulfate, Na4C03S04

Sodium carbonate sulfate (burkeite),

Na6C03(S04)2

Sodium carbonate sulfate,

Na6C03(S04)2

Sodium carbonate sulfate,

Na6(C03)2S04

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 '21120

Sodium chromium oxide sulfate,

Na4(Cr04)(S04)

Sodium cobalt nitrite, Na3Co(N02)6

Sodium cobalt(II) sulfate hydrate,

Na2Co(S04)2-4H20

Sodium cyanate, NaCNO

Sodium cyanide, NaCN (cubic)

Sodium cyanide, NaCN (orthorhombic)

at 6 °C

Sodium fluoride (villiaumite) , NaF

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, NaI03

Sodium iodate, NaI04

Sodium iodate hydrate, NaI03*H20 .. Sodium iodide, Nal

Sodium iron fluoride, Na3FeF6

8m 138

18m 63

16m 64

7m 160

16m 66

9 51

5 65

3 47

11m 49

11m 50

8m 132

9m 106

15m 69

10m 48

6m 59

8 54

11m 51

11m 52

11m 53

11m 54

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

15m 71

5 63

10m 130

7m 163

4m 69

7 47

7 48

17m 73

4 31

9m 54

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

(vanthof f ite) , Na6Mg(S04)4

Sodium magnesium sulfate hydrate,

bloedite, Na2Mg(S04)2 •4H2O

Sodium magnesium sulfate hydrate

(loeweite), Na 12^87 (SO4) xs * ISHgO

Sodium manganese(II) fluoride,

NaMnFa

Sodium manganese sulfate hydrate,

Nai2Mn7(S04)i3-15H20

Sodium mercury(II) chloride hydrate,

NaHgCl3-2H20

Sodium molybdenum oxide, Na2Mo04 .. Sodium molybdenum oxide, Na2Mo207

Sodium neodymium fluoride silicate,

(Na2Nd8)F2(Si04)6

Sodium nickel(II) sulfate hydrate,

Na2Ni (304)2 •4H2O

Sodium niobium oxide (lueshite)

NaNbOa

Sodium nitrate (soda niter) , NaNOs

Sodium nitrite, NaN02

Sodium nitrosyl iron cyanide

hydrate, Na2(N0)Fe(CN)5-2H20

Sodium oxide, Na20

Sodium phosphate, NasPaOg

Sodium phosphate hydrate,

Na3P309-H20

Sodium phosphate hydrate,

C(-Na4P40x2 *^H20 (monoclinic)

Sodium phosphate hydrate,

p-Na4P40i2*^H20 (triclinic)

Sodium phosphate hydrate,

Na6P60i8-6H20

Sodium praseodymium fluoride

silicate, (Na2Pr8)F2 (3164) e Sodium selenate, Na2Se04

Sodium selenide, Na2Se

Sodium silicate, a(III), Na2Si205 . Sodium silicate, p-Na2Si205

Sodium silicon fluoride

(malladrite) , Na2SiF6

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-NaVOa .... Sodium vanadium oxide, p-NaVOa ....

7m 64

10m 49

3m 47

11m 56

15m 72

6m 63

14m 35

6ni 65

14m 37

6m 66

Im 46

9m 110

7m 66

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

10m 136

16m 68

19m 77

11m 57

2 59

17m 74

10m 140

3 60

10m 141

7m 166

16m 69

1 Qm 7Q

Im 47

2m 33

18m 67

18m 68

103
Vol. or

Sec. Page

Vol. or

Sec. Page

Sodium zinc fluoride, NaZnFg 6m 74

Sodium zinc sulfate hydrate,

Na2Zn(S04)2-4H20 6m 72

Sodium zirconium fluoride,

NayZrgFai 8m 144

Sodium zirconium phosphate,

NaZr2(P04)3 19m 81

Strontium aluminum hydroxide,

Sr3Al2(0H)i2 lOin 50

Strontium aluminum oxide, Sr3Al206 10m 52

Strontium arsenate, Sr3(As04)2 .... 2m 36

Strontium azide, Sr(N3)2 8m 146

Strontium borate, SrB204 3m 53

Strontium borate, SrB407 4m 36

Strontium bromate hydrate,

' Sr(Br03)2-H20 17m 76

Strontium bromide fluoride, SrBrF 10m 54

Strontium bromide hydrate,

SrBr2-6H20 4 60

Strontium carbonate (strontianite)

,

SrC03 3 56

Strontium 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, SrsCl.gsCOH) .35(P04)3 11m 60

Strontium chromium oxide, SrCr207 17m 77

Strontium chromium oxide, Sr2Cr04 I6m 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, SrFei20i9 ••• Strontium manganese oxide,

SrMn03 (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 -. Hm 64

Strontium scandium oxide hydrate,

Sr3Sc206 -61120 6m 78

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, SrTiOs .. 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

Sulfamic acid, H2NSO3H 7 54

Sulfur, S (orthorhombic) 9 54

Tantalum, Ta 1 29

Tantalum silicide, TaSi2 8 59

Tellurium, Te 1 26

Tellurium(IV) oxide (paratellurite)

,

Te02 (tetragonal) 7 56

Tellurium(IV) oxide, paratellurite,

Te02 (tetragonal) 10 55

Tellurium(lV) oxide, tellurite,

TeOg (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

Terbium vanadium oxide, TbV04 5m 56

Thallium, a-Tl I6m 73

Thallium aluminum sulfate hydrate,

T1A1(S04)2'12H20 6 53

Thallium(l) 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,

TI2C02 (504)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 (304)3 "^'o ^6

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, Tl2SiF6 6 56

Thallium strontium sulfate,

Tl2Sr(S04)2 15in 75

Thallium(I) sulfate, TI2SO4 6 59

Thallium(I) thiocyanate, TICNS 8 63

Thallium tin chloride, Tl2SnCl6 ... 6 54

104
Vol. or

Sec. Page

Vol. or

Sec. Page

Thalliuin(I) tungsten oxide, TI2WO4

Thallium zinc sulfate hydrate,

Tl2Zn(S04)2-6H20

Thorium arsenide, ThAs

Thorium carbide, ThC

Thorium nitrate hydrate,

Th(N03)4-5H20

Thorium oxide (thorianite) , Th02 .

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, Sns gAss

Tin chloride hydrate, SnCl2-2H20 .. Tin(II) fluoride, SnF2

Tin hydrogen phosphate, SnHP04 .... Tin(IV) iodide, Snl4

Tin(II) oxide (romarchite) , SnO ... Tin(IV) oxide (cassiterite) , Sn02

Tin sulfide (berndtite), p-SnS2 • . •

Tin(II) telluride, SnTe

Titanium, Ti

Titanium carbide, TiC

Titanium(III) oxide, TiOi^sis

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(V) oxide (shcherbinaite)

,

V2O5

Vanadium sulfide, a-V^S

Vanadium sulfide, P-V3S

Ytterbium arsenate, YbAs04

Ytterbium arsenide, YbAs

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 ....

Im 48 5m 59

1 16

7m 80 Zinc aluminum oxide (gahnite)

,

4m 70 ZnAl204 2 38

18m 71 Zinc ammine bromide, Zn(NH3)2Br2 11m 68

Zinc ammine chloride, Zn(NH3)2Cl2 10m 59

18m 72 Zinc antimony oxide, ZnSb204 4m 39

1 57 Zinc Arsenate Hydrate (koettigite)

,

3m 56 Zn3(As04)2-8H20 19m 85

4m 71 13m 48

4m 71 Zinc carbonate, smithsonite, ZnCOs 8 69

9 58 Zinc chlorate hydrate.

4m 72 Zn(C104)2-6H20 16m 79

5m 57 Zinc chromium oxide, ZnCr204 .. 9m 59

2 12 Zinc cobalt oxide, ZnCo204 10m 60

1 24 5 73

4m 37 6 60

15m 76 Zinc fluoride hydrate, ZnF2 '41120 .. 11m 69

17m 84 10 56

3m 51 Zinc hydroxide silicate hydrate.

13m 46 hemimorphite , Zn4(0H)2Si207*H20 .. 2 62

5 71 9 60

4 28 Zinc iron oxide (f ranklinite)

,

1 54 9m 60

9m 57 Zinc manganese oxide (hetaerolite)

,

7 61 10m 61

3 4 Zinc molybdenum oxide, Zn2Mo30g ... 7m 173

18m 73 Zinc nitrate hydrate.

9 59 a-Zn(N03)2-6H20 12m 36

7m 82 2 25

16m 80

3m 57 16m 81

7m 83 Zinc phosphate, y-Zn3(P04)2 16m 83

8 64 Zinc phosphate hydrate (hopeite).

4m 72 Zn3(P04)2-4H20 16m 85

8m 149 3 23

1 28 Zinc silicate (willemite), Zn2Si04 7 62

8m 2 Zinc silicon fluoride hydrate,

18m 74 ZnSiFg -61120 8 70

8 65 Zinc sulfate (zinkosite), ZnS04 ... 7 64

18m 75 Zinc sulfate hydrate (gunningite)

,

5m 78 ZnS04-H20 19m 86

2 33 Zinc sulfate hydrate (goslarite)

,

5m 78 ZnS04-7H20 8 71

4m 73 Zinc sulfide (wurtzite) , a-ZnS

9m 58

Zinc sulfide (sphaelerite) , p-ZnS

2 14

8 66 2 16

14m 118 3m 58

14m 120 10m 62

4m 38 13m 49

4m 73 Zinc titanium oxide, Zn2Ti04 12m 37

4m 74 Zinc tungsten oxide (sanmartinite)

,

6m 80 2m 40

5m 79 2 11

5m 79 18m 79

5m 58 5m 60

18m 77 Im 51

2m 39 5m 80

4m 74 5m 81

Im 51 Zirconium oxide chloride hydrate.

19m 83 ZrOCl2-8H20 18m 81

3 28 4m 75

8 67 Zirconium silicate, zircon, ZrSi04 4 68

5m 80 17m 16

4m 75 Zirconium sulfate hydrate

11m 113 (zircosulfate) , Zr (804)2 •4H2O 7 66

105
CUMULATIVE ORGANIC FORMULA INDEX

Vol. or

Sec. Page

CHI3 Iodoform 18m 34

CH4N20 Urea 7 61

CH4N2S Thiourea 17m 83

CH5N02 Ammonium formate 11m 9

CHsNa-HCI Guanidinium chloride 17m 35

CH5N3S Thiosemicarbazide 17m 81

C2Ag204 Silver oxalate 9m 47

C2Fe04-2H20 Iron oxalate hydrate (humboldtine) 10m 24

C2HNa04-H20 Sodium hydrogen oxalate hydrate 17m 72

'C2H2Ca04 Calcium formate 8 16

C2H204-2H20 Oxalic acid hydrate 16m 55

C2H204Pb Lead formate 8 30

C2H204Sr Strontium formate 8 55

C2H204Sr-2H20 Strontium formate hydrate (orthorhombic) 8 56

C2H3KO4 Potassium fomate-foirmic acid complex 9m 93

C2H3Na02-3H20 Sodium acetate hydrate 15m 66

C2H4N2O2 Glyoxime 8m 102

C2H5NO2 a-Glycine 17m 34

C2H7NO2 Ammonium acetate 8m 95

C2H8N2-2HC1 Ethylenediamine Hydrochloride 19m 43

C2H8N204-H20 Ammonium oxalate hydrate (oxammite) 7 5

C2K204-H20 Potassium oxalate hydrate 9m 39

C2Li204 Lithium oxalate 10m 34

C2Na204 Sodium oxalate 6m 70

C204Rb2 '11202 Rubidium oxalate perhydrate 9m 102

C3H7N02 L-Alanine 8m 93

C3H7N02S L-Cysteine 11m 86

CsHgN-HCl Trimethylammonium chloride 9m 113

C4H3K08-2H20 Potassium hydrogen oxalate hydrate 17m 60

C4H4Ca05-2H20 Calcium malate hydrate 10m 76

C4H4KNa06*4H20 Potassium sodium tartrate hydrate 15m 55

C4H4Mn06 Manganese Tartrate 19m 57

C4H4N08Y'H20 Anunonium yttrium oxalate hydrate 8m 97

C4H4Na206-2H20 Sodium D-tartrate hydrate 11m 110

C4H6Co04-4H20 Cobalt acetate hydrate 12m 19

C4H6Hg204 Mercury acetate 17m 51

C4H6Ni04-4H20 Nickel acetate hydrate 13m 31

C4H604Zii'2H20 Zinc acetate hydrate 18m 78

D-Tartaric acid 7m 168

C4H606U-2H20 Uranyl acetate hydrate 18m 76

C4H7N3O Creatinine 15m 31

C4H8N8O8 a-HMX 11m 100

C4H8Ng08 P-HMX 11m 102

C4H8N808 Octahydro-1 ,3,5, 7-tetranitro1 , 3 ,5 , 7-tetrazocine , alpha- 11m 100

C4H8N808 Octahydro-1 ,3,5, 7-tetranitro1 , 3 ,5 , 7-tetrazocine , beta- 11m 102

C4H22B20 bis- (o-Dodecacarborane) 6m 7 C5H4N403 Uric acid, phase 1 (calc. pattern) 8m 154

C5H4N403 Uric acid, phase 1 16m 78

C5H7CuN04-2H20 Copper glutamate hydrate 7m 110

C5H7N04ZI1-2H20 Zinc glutamate hydrate 7m 170

C5H8NNa04-H20 Sodium glutamate hydrate 17m 70

C5H9NO4 p-L-Glutamic acid 17m 32

C5H12O4 Pentaerythritol 17m 55

C6H3N3O7 Picric acid 16m 56

C6H5NO2 Nicotinic acid 16m 54

C6H6O2 y-Hydroquinone 8m 107

C6H8CI2N4Z11 Zinc diimidazole chloride 7m 123

C6H8N2-HC1 Phenylhydrazine hydrochloride 17m 56

C6H806 L-Ascorbic acid 8m 99

C6H12N4 Hexamethylenetetramine 17m 37

C 6^1 2^6 Dextrose 11m 28

106
Vol. or

Sec. Page

CgH]^2^6 a-D-Glucose 11m 28

C6Hi5Ho0i2S3*9H20 Holmium ethylsulfate hydrate Im 18

C6Hi5Nd0i2S3-9H20 Neodymium ethylsulfate hydrate 9 41

CyHgBrOa o-Bromobenzoic acid 16m 22

C7H5CIO2 m-Chlorobenzoic acid 16m 30

C7H5FO2 p-Fluorobenzoic acid 16m 36

C7H5IO2 p-Iodobenzoic Acid 19m 47

C7H9NO2S Methyl sulfonanilide 9m 78

C7H12O4 Pimelic acid 7m 153

C8H4Hg204 Mercury o-phthalate 10m 113

C8H5KO4 Potassium hydrogen o-phthalate 4m 30

C8H5O4TI Thallium hydrogen phthalate 16m 75

C8H7N3O7 2,4, 6-Trinitrophenetole 8m 152

p-Anisic acid 16m 11

CgHgNO Acetanilide (calc. pattern) 14m 38

CgHgNO Acetanilide 16m 7 C8HiiN2Na03 Sodium barbital 16m 157

C8H12N2O3 Barbital, form I 15m 126

CgHiaNgOa Barbital, form II 15m 128

C8H12N2O3 Barbital, form IV 15m 130

^9Hl4N203 Metha rbital 15m 177

C10H12N2O3 Allobarbital 14m 41

^10^^12^208 Ethylenediaminetetraacetic Acid 19m 45

CjoHisNO-HCl (-)-Ephedrine hydrochloride 16m 124

C11H16N203 Vinbarbital, form I 16m 162

^11^18^2^3 Amobarbital, form I 15m 114

^1 1^18^203 Amobarbital, form II 15m 117

^12^10^2 Azobenzene 7m 86

Ci2Hi2N2-2HCl Benzidine hydrochloride 18m 14

C12H12N203 Phenobarbital , form III 16m 144

Ci2Hi2N203-8H20 Phenobarbital Hydrate 19m 88

C12H16C12CUN8 Copper tetrapyrazole chloride 8m 31

Ci2Hi6Cl2N8Ni Nickel tetrapyrazole chloride 8m 44

CiaHisCuNioOe Copper tetraimidazole nitrate 13m 24

^12^16^2 (N,N)-Dimethyltryptamine 14m 109

C12H16N2O Bufotenine 15m 133

^12^16^2^ Psilocin I6m 152

C12H22O1I Sucrose 11m 66

C12H26N2O4 Hexamethylenediammonium adipate 7m 121

Cl3H20N202'HCl Procaine hydrochloride 16m 149

C13H21N2O4P Psilocybin methanolate 16m 154

C14H11FO 4-Acetyl-2 ' -f luorodiphenyl 8m 91

Ci4Hi9N3S-HCl Methapyrilene hydrochloride 14m 112

Cl5Hl2N20 p-Carbamazepine 18m 24

C15H1202 Dibenzoylmethane 7m 115

C16H13C1N20 Diazepam 14m 106

C16H13N N-Phenyl-2-naphthylamine 6m 29

^17^19^1^2^ Chlorpromazine 14m 60

Ci7Hi9N03-HCl-3H20 Morphine hydrochloride hydrate 16m 133

Ci7H2iN04-HCl L-Cocaine hydrochloride 16m 114

CiyHasN-HCl Phencyclidine hydrochloride 16m 141

Ci8H2iN03-HBr-2H20 Codeine hydrobromide hydrate 16m 117

Ci8H24CdNi406 Cadmium hexaimidazole nitrate 8m 23

Cl8H24Nl4Ni06 Nickel hexaimidazole nitrate 7m 27

C18H28N2O4S (+) -Amphetamine sulfate 15m 119

Ci9H2iN04-HCl-2H20 Naloxone hydrochloride hydrate 16m 136

C19H22N2O Cinchonine 17m 26

Ci9H24N2'HCl Imipramine hydrochloride 16m 129

C2oH25N03-HCl Benactyzine hydrochloride 16m 92

^20^34 Ot-Dihydrophyllocladene, hartite

(or bombiccite) 16m 122

C21H23C1FN02 Haloperidol 16m 127

C21H3002 Cannabidiol 16m 111

C22H25C1N20S-2H20 Clopenthixol hydrate 17m 28

C22H3004 A^-Tetrahydrocannabinolic acid

B 16m 160

V

107
C25H15N6

C33H40N2O9

Palladium bis- (N-isopropyl-3-

ethylsalicylaldiminate)

N-Methylphenazinium-7 ,7,8,8-

tetracyanoquinodimethanide

Reserpine

108
CUMULATIVE ORGANIC NAME INDEX

Vol. or

Sec. Page

Acetanilide CgHgNO (calc. pattern) 14m 38

Acetanilide CgHgNO 16m 7 4-Acetyl-2' -fluorodiphenyl Ci4HiiF0 8m 91

Alanine, L- CH3CHNH2CO2H 8m 93

Allobarbital *^10Hl2N203 14m 41

Amobarbital, form I CllHi8N203 15m .114

Amobarbltal, form II C11H18N203 15m 117

Ammonium acetate NH4'CH3C02 8m 95

Ammonium formate NH4HC02 11m 9

Ammonium oxalate hydrate (oxammite) (NH4)2C204-H20 7 5

Ammonium yttrium oxalate hydrate NH4Y(C204)2*H20 8m 97

Amphetamine sulfate, (+)- C18H28N204S 15m 119

p-Anisic acid C8H803 16m 11

Ascorbic acid, L- C6H806 8m 99

Azobenzene CsHsNNCeHg 7m 86

Barbital, form I C8H12N2O3 15m 126

Barbital, form II C8H12N2O3 15m 128

Barbital, form IV C8H12N2O3 15m 130

Benactyzine hydrochloride C2oH2 5N03-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(N03)2 8m 23

Calcium formate Ca(HC02)2 8 16

Calcium malate hydrate Ca(02C)2(CH2CH0H) -21120 10m 76

Cannabidiol C2 1H30O2 16m 111

Carbamazepine, p- Cl5Hl2N20 18m 24

m-Chlorobenzoic acid C7H5C102 16m 30

Chlorpromazine C17H19C1N2S 14m 60

Cinchonine C19H22N20 17m 26

Clopenthixol hydrate C22H25C1N20S'2H20 17m 28

Cobalt acetate hydrate Co(C2H302)2-'=>H20 12m 19

Cocaine hydrochloride, L- Ci7H2iN04-HCl 16m 114

Codeine hydrobromide hydrate CigHgiNOg-HBr -21120 16m 117

Copper glutamate hydrate Cu(02C)2(H2NCHCH2CH2) •2H2O 7m 110

Copper tetraimidazole nitrate Cu(C3H4N2)4(N03)2 13m 24

Copper tetrapyrazole chloride Cu(C3H4N2)4Cl2 8m 31

Creatinine C4H7N30 15m 31

Cysteine, L- HSCH2 • CH (NH2 )

- COOH 11m 86

Dextrose ^6^12^6 11m 28

Diazepam C16H13CIN2O 14m 106

Dibenzoylmethane (C6H5C0)2CH2 7m 115

Dihydrophyllocladene, a-, hartite (or

bombiccite) C20H34 16m 122

(N ,N) -Dimethyltryptamine ^12^16^2 14m 109

bis- (o-Dodecacarborane) C4B20H22 6m 7 Ephedrine hydrochloride, (-)- C10H15NO-HCI 16m 124

Ethylenediamine hydrochloride C2H8N2-2HC1 19m 43

Ethylenediaminitetraacetic acid *^ioHi2N208 19m 45

p-Fluorobenzoic acid C7H5F02 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 CH5N3-HC1 17m 35

Haloperidol C21H23C1FN02 16m 127

Hexamethylenediammonium adipate (CH2)4(C02H3N;2CCH2;6 /m 101 IZl

Hexamethylenetetramine C6H12N4 17m 37

HMX, a- C4H8N808 11m 100

HMX, p- C4H8N808 11m 102

Holmium ethylsulfate hydrate Ho [(C2H5)S04]3-9H20 Im 18

Hydroquinone , Y" HOC6H40H 8m 107

109
Vol. or

Sec. Page

Imipramine hydrochloride Cl9H24N2-HCl 16m 129

p-Iodobenzoic acid C7H5IO2 19m 47

Iodoform CHI 3 18ffl 34

Iron oxalate hydrate (humboldtine) FeC204«2H20 16m 24

Lead formate Pb(HC02)2 8 30

Lithium oxalate Li2C204 10m 34

Manganese tartrate C4H4Mn06 19m 57

Mercury ace.tate C4H6Hg204 17m 51

Mercury o-phthalate C6H4(C02Hg)2 10m 113

Methapyrilene hydrochloride Ci4Hi9N3S-HCl 14m 112

Metharbital C9H14N203 15m 177

Methyl sulfonanilide C6H5NHS02CH3 9m 78

N-Methylphenazinium-7 ,7 ,8,8-tetracyanoquinodimethanide C25H15N6 7m 146

Morphine hydrochloride hydrate Ci7Hi9N03-HCl-3H20 16m 133

Naloxone hydrochloride hydrate Ci9H2iN04-HCl-2H20 16m 136

2-Naphthylamine , N-phenyl- CiqHvNHCgHs

Nd[(C2H5)S04J3-9H20

6m 29

Neodymium ethylsulfate hydrate 9 41

Nickel acetate hydrate Ni(C2H302)2*^H20 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) ^4^8^808 11m 100

Octahydro-1 , 3,5, 7-tetranitro1,3,5,7-tetrazocine (p-HMX) C4H8N8O8 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

Pfaenobarbital hydrate Ci2Hi2N203-H20 19m 88

Phenylhydrazine hydrochloride C6H8N2 -HCl 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)(C00K) 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 Ci3H2oN202*HCl 16m 149

Psilocin ^12^16^20 16m 152

Psilocybin methanolate C13H21N204P 16m 154

Reserpine C33H40N209 8m 123

Rubidium oxalate perhydrate Rb2C204 -11202 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)2'2H20 11m 110

Strontium formate Sr(CH02)2 8 55

Strontium formate hydrate Sr(CH02)2'2H20 (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 C3H9N'HC1 9m 113

2 , 4 , 6-Trinitrophenetole C8H7N3O7 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

110
Zinc acetate hydrate

Zinc diimidazole chloride

Zinc glutamate hydrate,

C4H604-2H20

Zn(C3H4N2)2Cl2

Zn(02CCHNH2CH2CH2C02) •2H2O

Vol. or

Sec. Page

18m 78

7m 123

7m 170

111
CUMULATIVE 1

Vol. or

Sec. Page

Acanthite, Ag2S 10 51

Aeschynite CeNbTiOg 3m 24

Alabandite, MnS 4 11

Anatase, TiOg 7m 82

Andradite, CaaFegSigOia 9 22

Anglesite, PbS04 3 67

Anhydrite, CaS04 4 65

Annabergite, Ni3(As04)2 -SHzO 19m 60

Antarcticite, CaClg '61120 12m 16

Antimony; Sb 3 14

--Aphthitalite, KgNa (804)2 6m 52

Aragonite, CaCOg 3 53

Aragonite, CaCOs (calculated pattern) I4m 44

Arcanite, K2SO4 3 62

Arsenic, As 3 6

Arsenolite, AS2O3 1 51

Aurostibite, AuSb2 7 18

Avicennite, TI2O3 I6m 77

' *Azurite, Cu3(0H)2 (003)2 10 30

*Bahianite, AI5 66Feo.o9Sb2.950i6 • 16m 87

Baryte, BaS04 10m 12

Bassanite, CaS04 '0.51120 18m 22

Berlinite, AIPO4 10 3

Berndtite, SnS2 9m 57

*Beryl, Be3Al2Si60ig 9 13

Bischofite, MgCl2'6H20 11m 37

Bismite, a-Bi203 3m 17

Bismoclite, BiOCl 4 54

Bismuth, Bi 3 20

Bismuthinite, Bi2S3 5m 13

Bixbyite, a-MngOg 11m 95

*Bloedite, Na2Mg(S04)2 •4H2O 6m 63

Boehmite, Al203'H20 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 , Ca4Al2Fe20io I6m 28

Brucite, Mg(0H)2 6 30

Bunsenite , NiO 1 47

Burkeite, Na6C03(S04)2 11m 52

*Butlerite, Fe(0H)S04 •2H2O 10m 95

Cadmoselite, CdSe 7 12

Calcite, CaC03 2 51

Calomel, Hg2Cl2 13m 30

Carnallite, KMgCl3'6H20 8m 50

Carobbiite, KF 1 64

Cassiterite, Sn02 1 54

Celestite, SrS04 2 61

Cerianite, Ce02 1 56

Cerussite, PbCOg 2 56

Cervantite, Sb204 10 8

*Chabazite, Ca2Al4Si8024 ' I2H2O 19m 27

Chalcocyanite, CUSO4 3m 29

Chernovite, YASO4 2m 39

Chiolite, Na5Al3Fi4 I6m 63

Chloraluminite, AlCl3'6H20 7 3

Chlorargyrite , AgCl 4 44

Chloromagnesite , MgCl2 11m 94

Chromatite, CaCr04 7 13

Chromite, FeCr204 19m 50

Chrysoberyl, BeAl204 9 10

Cinnabar, HgS 4 17

Claudetite, AS2O3 3m 9

Natural mineral

INDEX

Vol. or

Sec. Page

Clausthalite, PbSe 5 38

Clinobisvanite, BiV04 3m 14

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 (o( or low) Si02

(tetragonal, calculated pattern) 15m 180

Cristobalite O or high) SiOg (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, Al203'H20 3 41

Diopside, CaMg(Si03)2 5m 17

*Dravite, NaMg3Al6B3Si602 7(0H)4 ... 3m 47

Eitelite, Na2Mg(C03)2 Hm 56

Elpasolite, KgNaAlFg 9m 43

*Enstatite, MgSi03 6 32

Epsomite, MgS04 '71120 7 30

Eriochalcite, CuCl2'2H20 18m 33

Erythrite, Co3(As04)2 '8H2O 19m 39

Erythrosiderite, K2FeCl5'H20 I4m 27

Eskolaite, Cr203 5 22

Ettringite, Ca6Al2S30i8'31H20 8 3

Fairchildite, K2Ca (003)2 8m 48

Farringtonite, Mg3(P04)2 19m 55

Fluorapatite, Ca5F(P04)3 3m 22

Fluorite, CaF2 1 69

Forsterite, Mg2Si04 1 83

Franklinite, ZnFe204 9m 60

Fresnoite, Ba2TiSi208 9m 14

Gahnite, ZnAl204 2 38

Galaxite, MnAl204 9 35

Galena, PbS 2 18

Gaspeite, NiC03 Im 36

Geikielite, MgTiOg 5 43

Gersdorffite, NiAsS Im 35

Glauberite, Na2Ca (804)2 6m 59

Gold, Au 1 33

Goslarite, ZnS04'7H20 8 71

Greenockite, CdS 4 15

*Groutite, MnO(OH) 11m 97

Gunningite, ZnS04'H20 19m 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 (OH) 281307 •H2O .. 2 62

Hercynite, FeAl204 19m 48

Hessite, AggTe 19m 73

Hetaerolite, ZnMn204 10m 61

*Hexahydroborite, Ca[B(0H)4]2 '2H2O 16m 104

Hieratite, K28iF6 5 50

Hoernesite, Mg3(As04)2 '8H2O 19m 53

Hopeite, Zn3(P04)2 '4H20 I6m 85

Huebnerite, MnW04 2m 24

Humboldtine, FeC204'2H20 10m 24

Humite, Mg7F2Si30i2 l"" 30

Hydromolysite, FeCl3'6H20 17m 40

Hydrophilite, CaCl2 Hm 18

Ilmenite, FeTi03 15m 34

112
Vol. or

Sec. Page

Vol. or

Sec. Page

Indialite, Mg2Al4Si50jg

lodargyrite, Agl

Iron, a-Fe

Jacobsite, MiiFe204

*Julgoldite, Ca2Fe3Si30io(OH,0)2(OH)2

Kalistrontite, KgSr (804)2

Kieserite, MgS04'H20

Koettigite, Zn3(As04)2 -81120

Kremersite, (NH4,K)2FeCl5*H20

Langbeinite, K2Mg2 (804)3

Larnite, p-Ca2Si04

Lautarite, Ca(I03)2

Lead, Pb

*Leucophanite , NaCaBeFSi206

Libethenite, Cu2(0H)P04

*Liddicoatite, Ca(Li ,Al)3Al6B38i602 7 (0,0H)3(0H,F)

Lime , CaO

Lime, CaO (calculated pattern) .... *Linarite, CuPb (OH) 2(804)

Litharge, PbO (red)

Lithiophosphate , Li3P04

Loellingite, FeAs2

Loeweite, Na^gMg? (804)13 '151120

Lopezite, K2Cr207

*Loveringite, Ca ^ 72RE ^33(Y,Th,U,

Pb),o5Til2, 48^63. 38Cr2. 24^8.92

Zr.ssAl^agV 2iMn,040.38

Lueshite, NaNbOa ' Macedonite, PbTiOs

Magnesiochromite, MgCr204

Magnesite, MgC03

Magnetite, Fe304

Malachite, Cu2(0H)2C03

Malladrite, NagSiFe

Manganolangbeinite , K2Mn2(804)3 ... Manganosite, MnO

Marshite, Cul

Mascagnite, (^4)2804

Massicot, PbO (yellow)

Matlockite, PbFCl

Matteuccite, NaH804-H20

Mayenite, Cai2Ali4033

Melanterite, Fe804-7H20

*Meliphanite,

Na.63Cai.37BeAl^i38ii,8706.25F.75

Metaborite, HBO2

Metacinnabar , HgS

Miargyrite, AgSbS2

"Millerite, Ni8

Minium, Pb304

Mitscherlichite, K2CUCI4 -21120

Molybdenite, M0S2

Molybdite, M0O3

Monteponite, CdO

Montroydite, HgO

Mullite, Al6Si20i3

Nantokite, CuCl

"Newberyite, MgHP04-3H20

Nickel-hexahydrite, p-Ni804-6H20 .. Niter, KNO3

Nitrammite, NH4NO3

Nitrobarite, Ba(N03)2

Norbergite, Mg3F28i04

Oldhamite, Ca8

Otavite, CdCOa

Oxaramite, (NH4)2C204 -1120

Im 29 Palladium, Pd 1 21

8 51 Palladseite, Pdi78ei5 16m 139

4 3 Palmierite, K2Pb(S04)2 14m 30

9 36 18m 16

10m 72 *Paratellurite, Te02 10 55

14m 31 Paratellurite, Te02 7 56

16m 46 1 37

19m 85 Perovskite, CaTi03 9m 17

14m 8 *Phenakite, Be2Si04 8 11

6m 40 Picromerite, K2Mg(S04)2 -61120 8m 54

19m 29 *Pirssonite, Na2Ca(C03)2 -2H2O 9m 106

14m 12 Platinum, Pt 1 . 31

1 34 Portlandite, Ca(0H)2 1 58

8m 138 Potash alum, KA1(S04)2 -I2H2O 6 36

17m 30 Powellite, CaMo04 6 22

Pyrargyrite, Ag38bS3 5m 51

16m 42 Pyrite, FeS2 5 29

1 43 "-Pyroaurite , Mg6Fe2C03 (OH) ig •^H20 10m 104

14m 49 Pyrolusite, p-Mn02 10m 39

16m 34 Pyrope, MggAlz (8104)3 4m 24

2 30 Pyrophanite, MnTi03 15m 42

4m 21 3 24

10 34 18m 61

14m 35 10 42

15m 47 Retgersite, NiS04-6H20 7 36

7 32

Rokuhnite, FeCl2-2H20 11m 32

16m 106 4 28

18m 64 '"'Roscherite , (monoclinic) , 5 39 Be2Ca(Fe.3Mg.7)2A1.67(P04)3(0H)3-

9 34 2H2O 16m 96

7 28 *Roscherite, (triclinic), Be4Ca2

5m 31 (Mn3.9iM8.04Ca.05)(Al.i3Fe.42Mn,i2)

10 31 (P04)6(0H)4-6H20 16m 100

16m 68 Rutile, Ti02 7m 83

6m 43 Safflorite, CoFeAs4 10 28

5 45 1 59

4 38 13m 10

9 8 2m 40

2 32 Scacchite, MnCl2 8m 43

13m 25 *8cheelite, CaW04 6 23

9m 52 Schultenite, PbHAs04 14m 18

9 20 5 54

8m 38 Selenolite, 8e02 7m 60

Sellaite, MgF2 4 33

8m 135 3 31

4m 27 8 66

4 21 *8iderite, FeC03 15m 32

5m 49 Silver, Ag 1 23

Im 37 Silver, Ag (reference standard) ... 8m 2

8 32 *Sj ogrenite , Mg6Fe2C03 (OH) ^ g ' ^HgO 10m 103

9m 34 Skutterudite, C0AS3 10 21

5 47 *8mithsonite, ZnC03 8 69

3 30 Soda alum, NaAl (804)2 -I2H2O 15m 68

2 27 *Sodalite, Na88i6Al6024Cl2 7m 158

9 39 6 50

3ra 3 10 24

4 35 2 16

7m 139 9m 25

19m 65 Stibnite, 8b283 5 6

3 58 Stilleite, ZnSe 3 23

7 4 Stolzite, PbW04 5m 34

11m 14 Strontianite, SrC03 3 56

10 39 Struvite, MgNH4P04 •6H2O 3m 41

7 15 9 54

7 11 Sylvite, KCl 1 65

7 5 Syngenite, K2Ca(S04)2 -HgO 14m 25

Szmikite, MnS04-H20 16m 49

113
Vol. or Sec . Page

Tellurantimony, Sb2Te3 3m 8

^Tellurite, TeOg 9 57

Tellurium, Te 1 26

Tellurobismuthite, BigTeg 3m 16

Tenorite, CuO 1 49

Teschemacherite, NH4HCO3 9 5

Thenardite, Na2S04 2 59

Thermonatrite, NagCOg-HaO 8 54

" Thorns eno lite, NaCaAlFg-HgO 8m 132

Thorianite, ThOg 1 57

Thortveitite, 80281207 7m 58

Tiemannite, Hg8e 7 35

Tin, a-8n (cubic) 2 12

^,Tin, p-Sn (tetragonal) 1 24

-"Topaz, Al2Si04(F,0H)2 Im 4

Trevorite, NiFe204 10 44

Trippkeite, CUAS2O4 I6m 120

"Trona, Na3H(C03)2 •2H2O 15m 71

Tschermigite, NH4AI (SO4) 2 * I2H2O ... 6 3

Tungstenite, W82 8 65

Unnamed mineral,

Ki .i6Ba,72Fe^36 Tis^sgOig I6m 147

Uraninite, UO2 2 33

Uvarovite, Ca3Cr2 (8104)3 10 17

*Valentinite, Sb203 10 6

Vanthoffite, NagMg (804)4 15m 72

Villiaumite, NaF 1 63

Vivianite, Fe3(P04)2 •8H2O 16m 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 (864)2 I6m 59

Zinc, Zn 1 16

Zincite, ZnO 2 25

Zinkosite, ZnS04 7 64

^Zircon, Zr8i04 4 68

Zircosulfate, Zr(S04)2 •4H2O 7 66

1

114
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BIBLIOGRAPHIC DATA

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Monogr. 25--Sec. 19

2. Performing Organ. Report No. 3. Publication Date

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4. TITLE AND SUBTITLE

Standard X-ray Diffraction Powder Patterns

Section 19—Data for 51 Substances

,5.AUTH0R(S) Morris, H. F. McMurdie, E. H. Evans, B. Paret

H. S. Parker, N. P. Pvrros, and C. R. Hubbard

zkin.

6. PERFORMING ORGANIZATION (If joint or other thon N8S, see instructions)

NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE

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JCPDS--International Centre

for Diffraction Data

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Standard x-ray powder diffraction patterns are presented for 51 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 Wilier indices consistent with space group extinctions. Relative intensities, calculated densities, literature references, and

other relevant data are included.

12. KEY WORDS (S/x to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

Crystal structure; densities; lattice constants; powder patterns; reference

intensities; standard; x-ray diffraction.

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