AlllOD Ififib^fi

cr»T OF

V) J

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PUBLICATIONS

NATL INST OF STANDARDS & TECH R.I.C.

100988698

ST5°5rv'25-17;1980 C.1 NBS-PUB-C 19 NBS MONOGRAPH 25-SECTION 1

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

Standard X-ray Diffraction

Powder Patterns
NATIONAL BUREAU OF STANDARDS

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.

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standard X-ray Diffraction

Powder Patterns

Section 17— Data for 54 Substances

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

Boris Paretzkin

International Centre for

Diffraction Data

Camden R. Hubbard and Simon J. Carmel

National Measurement Laboratory

International Centre for Diffraction Data

U.S. DEPARTMENT OF COMMERCE, Philip M. Klutznicic, Secretary

Luther H. Hodges, Jr., Deputy Secretary

Jordan J. Baruch, Assistant Secretary for Productivity, Technology and Innovation

NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director

Issued October 1980

0» tTANPAKDa

LIBBART

OCT i 0 1980

CiClOo

no. ^s-n

National Bureau of Standards

Washington, DC 20234
Library of Congress Catalog Card Number: 53-61386

National Bureau of Standards Monograph 25

Section 17—Data for 54 Substances

Nat. Bur. Stand. (U.S.), Monogr. 25-Sec. 17,1 14 pages (Oct. 1980)

CODEN: NBSMA6

U.S. GOVERNMENT PRINTING OFFICE

WASHINGTON: 1980

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

Price $4.50

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

Page

Introduction 1

Experimental patterns:

Aluminum borate, AI18B4O33 5 Ammonium borate hydrate, NH4B5O8 •4H2O . . . . 7 Ammonium nickel sulfate hydrate,

(NH4)2Ni(S04)2-6H20 9 Ammonium sulfate, (NH4)2S203 11 Ammonium sulfate, (^4)28208 13

Cadmium bromate hydrate,

Cd(Br03)2-2H20 14

Calcium sulfate hydrate (gypsum)

,

CaS04-2H20 16

Calcium tin oxide, CaSn03 18

Cerium nitrate hydrate, Ce(N03)3'6H20 20

Chromium boride, t'CrB 22

Chromium chloride, CrCls 23

Chromium iron oxide, Cri_3Feo,703 24

Chromium oxide, Cr03 25

Cinchonine, C]^9H22N20 26

Clopenthixol hydrate, C22H25C1N20S'2H20. . 28

Copper hydroxide phosphate (libethenite)

,

CU2(0H)P04 30

Glutamic acid, P-L-C5H9NO4 32

Glycine, a-C2H5N02 34

Guanidinium chloride, CH5N3-HC1 35

Hexamethylenetetramine, C6H12N4 37

Hydrazinium sulfate, (^3)2804 38

Iron chloride hydrate (hydromolysite)

,

FeCl3-6H20 40

Iron fluoride hydrate, p-FeF3 -31120 41

Lanthanum nickel platinum,

LaNio.25Pt4.75 42

Lead bromide, PbBr2 43

Lead iodate, Pb(I03)2 45

Lithium hydroxide, LiOH 46

Magnesium borate, MgB407 47

Magnesium iodate hydrate,

Mg(I03)2-4H20 48

Manganese, a-Mn 50

Page

Mercury acetate, C4H6Hg204 51

Mercury hydroxide nitrate, Hg(0H)N03 52

Niobium boride, 4"NbB 54

Pentaerythritol, C5H12O4 55

Phenylhydrazine hydrochloride,

C6H8N2-HC1 56

Potassium arsenic fluoride, KAsFg 57

Potassium hydrogen iodate, KH(I03)2 58

Potassium hydrogen oxalate hydrate,

C4H3K08-2H20 60

Potassium niobium oxide, KNbOs 62

Potassium sulfate, K2S2O8 64

Scandium boride, ScB2 66

Silver mercury iodide, p-Ag2Hgl4 67

Sodium chlorate hydrate, NaC104-H20 68

Sodium glutamate hydrate,

C5H8NNaO4-H20 70

Sodium hydrogen oxalate hydrate,

C2HNaO4-H20 72

Sodium iodate hydrate, NaI03'H20 73

Sodium sulfate hydrate, Na2S203'5H20 74

Strontium bromate hydrate,

Sr(Br03)2-H20 76

Strontium chromium oxide, SrCr207 77 Strontium chromium oxide hydrate,

SrCr207-3H20 79

Thiosemicarbazide, CH5N3S 81

Thiourea, CH4N2S 83

Tin chloride hydrate, SnCl2 '21120 84

Zirconium silicide, ZrSi2 86

Cumulative indices

(Circular 539, Volumes 1-10 and

Monograph 25, Sections 1-17 inclusive)

1. Inorganic 87

2. Organic formula 103

3. Organic name 105

4. Mineral 107

iii
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

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) (JCPDS —International Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081). The volume is sold with an accompanying search manual, and contains 949 card images of patterns of experimental data, published originally as Circular 539 (vols. 1-10) and 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, it must be used in ordering. All are available in hardcopy or microfiche; the price is not fixed and will be furnished on request.

NBS Publication Number NBS Publication Number

Circular 539, Volume 1 PB 178 902

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

Volume 10 PB 178 911

Monograph 25, Section 1 PB 178 429

Section 2 PB 178 430

Section 3 PB 178 431

Section 4 Section 5 Section 6 Section 7 Section 8 PB 194 872

Section 9 COM 72-50002

Section 10 COM 72-51079

Section 11 COM 74-50183

Section 12 COM 75-50162

Section 13 PB 254 073

Section 14 PB 272 372

Section 15 PB 287 182

Also, until the present supply is exhausted, the following issues are for sale from the Superintendent of Documents, U.S. Government Printing Office, Washington, DC 20402. Order by given catalog number,

and add 25% to the price, for other than U.S. mailing.

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Section 12 SN 003-003-01376-5 $1.50

Section 13 SN 003-003-01629-2 1.80

Section 14 SN 003-003-01842-2 2.75

Section 15 SN 003-003-01986-1 4.00

Section 16 SN 003-003-02128-8 5.00

ERRATA

Monograph 25

Section 16, pp. iii, 66, 176, 183: The corrected formula for sodium borate hydroxide hydrate (borax)

is Na2B405(0H)4-8H20.

p. 1: In the 2nd column, last paragraph, line 5 from the bottom, the symbols should be

p. 129: In the paragraph "Structure", the space group should be P2i/c.

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 17. Data for 54 Substances

by

Marlene C. Morris, Howard F. McMurdie,

Eloise H. Evans and Boris Paretzkin

JCPDS—International Centre for Diffraction Data

and

Camden R. Hubbard and Simon J. Carmel

National Bureau of Standards

Standard x-ray diffraction patterns are presented for 54 substances . The

experimental x-ray powder diffraction patterns were obtained with an x-ray diffractometer. All d-values were assigned Miller indices determined by comparison

with computed interplanar spacings consistent with space group extinctions. The

densities and lattice constants were calculated and the refractive indices were measured in some cases.

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

intensities; standard; x-ray diffraction.

INTRODUCTION

The Powder Diffraction File is a continuing

compilation of diffraction patterns gathered from

many sources. Produced and published by the

JCPDS--International Centre for Diffraction Data,^

the File 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 data to this

File. Our work also aids in the evaluation and

revision of published x-ray data and in the development of diffraction techniques. This report

presents information for 54 experimental patterns,

and is the twenty-seventh of the series of

^ Standard X-ray Diffraction Powder Patterns .

EXPERIMENTAL POWDER PATTERNS

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

.

Sample . The samples used to make NBS patterns

were obtained from a variety of sources or were prepared in small quantities in our laboratory.

^ JCPDS—International Centre for Diffraction Data,

1601 Park Lane, Swarthmore, PA 19081. This Pennsylvania non-profit corporation functions in cooperation 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 Mineralogial Society of

America, The Mineralogical Society of Great Britain

and Ireland, the National Association of Corrosion

Engineers, and the Societe Francaise de Mineralogie

et de Cristallographie.

^See previous page for other published volumes

.

Appropriate annealing or recrystallization of the

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

indexing the x-ray pattern.

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 1.49 to 2.1

[Hartshorne and Stuart, 1970].

The names of the sample colors were selected

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

Interplanar spacings . For spacing determinations, a shallow holder was packed with a sample mixed with an internal standard. 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.

To avoid errors associated with aberrations

at the very top of the peaks, 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. The Ka2 peaks were occasionally read to assist in establishing a KOj peak position, but

peaks were not reported.

At low angles, Ka^ and Ka2 peaks were un- resolved for both the sample and the internal

standard. The internal standard corrections

were established from the theoretical values

for Ka^ and were applied to the unresolved

low angle peaks, as well as to the resolved Ka^

peaks in the higher angle regions. If the

internal standard correction varied along th- length of the pattern, linear interpolations were used.

1
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.

Table 1

o Calculated 26 Angles, CuKa^ \ = 1 .540598A

W o Ag o ^1 O hk£ a=3..16524A a=4. 0865 lA a=5..43088A

.00004 uuuuz +

.

.00004

110 40..262

111 38. 112 28..443

200 58..251 44. 295

211 73..184 zzu oO , 64. 437 /. 7 HI .. JO J

310 100,.632

311 77. 390 56..123

222 114..923 81. 533

321 131..171

400 153..535 97. 875 69..131

331 110. 499 76..377

420 114. 914

422 134. 871 88..032

511/333 156. 737 94..954

440 106..710

531 114,.094

620 127..547

533 136,.897

444 158,.638

The internal standard Si powder is available as Standard Reference Material 640 [1974].

The lattice constant for the Si was refined from

multiple powder data measurements made with tungsten as an internal standard [Swanson et al.,

1966]. Single crystal cell parameter data were

also collected. The lattice parameters from the

two methods agreed within three parts in 10^

[Hubbard et al., 1975]. D-spacing results using

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

All of our spacing measurements were recorded

at 25 ± 1 °C on a diffractometer equipped with a focusing graphite or lithium fluoride crystal

monochromator located between the sample and the

scintillation counter. Pulse height discrimination was used as well. All measurements were performed using copper radiation: A.(CuKaj^, peak) = 1.540598A [Deslattes and Renins, 1973].

Structure, lattice constants . The space

groups were listed with short Hermann-Mauguin

symbols as well as the space group numbers given

in the International Tables for X-ray Crystal- lography , Vol. I [1952] .

Orthorhombic cell dimensions were arranged

according to the Dana convention b>a>c [Palache

et al., 1944]. Monoclinic and triclinic lattice

constants were transformed if necessary in order

to follow the convention of Crystal Data [1973].

A computer program [Evans et al., 1963]

assigned hk£s and refined the lattice constants.

Cell refinement was based only upon 2^bs values

which could be indexed without ambiguity. The program minimized the value ICQjbs -Q:alc )^ • The

estimated standard deviations (e.s.d.'s) of the

reciprocal cell parameters were determined from

the inverse matrix of the normal equations. The

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

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

program have been increased by 50% in order to reflect more truly the uncertainty in the lattice

constants. A similar increase should also be applied to all lattice constants in earlier publications of this series. The e.s.d.'s in the least

significant figures are given in parentheses following the lattice constants.

In indexing cubic patterns, for a given re- flection multiple hk£'s were not utilized in the

refinement or reported. Instead, the single appropriate index having the largest h was listed.

The number of significant figures reported for

d-values varied with the symmetry and crystallinity of each sample.

The number of significant figures at any re- ported d-value was derived from the average error

in |20Qbg - 2Q^^-^^\ and Ad/d = -cot© A0. With

these conditions, the rounding of any specific d at the given number of significant digits yielded

an error in its corresponding 20 which was less

than the average error in 20.

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 X = 0. M20 was specified for any pattern indexed with a cell

derived only through computer indexing from

powder data, without further confirmation.

The accuracy and completeness of measured interplanar spacings was conveniently reported as [Smith and Snyder, 1979]. The forma t us ed in this

publication was F^j = overall value ( |A20| , I^qss ^ ' where N, the number of observed reflections was chosen as 30, or the maximum number of lines of

the pattern if the entire pattern had fewer than

30 lines. The "overall value" was the figure of

merit^ Fn , as defined by Smith and Snyder [1979],

and |A20 j was the average absolute magnitude of

discrepancy between observed and calculated 20

values for each reported hk£. Nposs was 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 . It was found that

samples which gave satisfactory intensity patterns

2
usually had an average particle size smaller than

10 |Jm, as recommended 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 sam- ple was allowed to drift into the end opening while

the holder was held in a vertical position. 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). If the sample powder did not flow

readily, or was prone to orient excessively,

approximately 50 volume percent of finely ground

silica-gel was added as a diluent. Occasionally,

a rotating sample holder was used instead. The

intensities of the diffraction lines were measured as peak heights above background and were expressed in percentages of the strongest line.

As a check on reproducibility, each sample

was mounted at least 3 times. The intensity

values were determined for each of the mountings.

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:

Tfc- J^ _ I(comp) I(fixed) = : sm e

rel

The reported I value for each observed spacing was the scaled average of the separate

measurements, rounded to the nearest integer.

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 =100.

a?

1 n-1

nI (l/^-^(k) <I>.)

Figure 1.

and

where

m

Z

i=l

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)

Reference Intensity Ratio, I/Icorundum'

The reference intensity ratio,

defined as the direct ratio of

the strongest reflection of a s intensity of the reflection 113

corundum (o(-Al203) [Visser and

In this publication the ratios

lated for copper Ka radiation,

I/I , has been

c the intensity of

ample , to the

(hexagonal) of

de Wolff, 1964].

I/Ic were tabufor a 1:1 mixture

Figure 2.

by weight of the sample and corundum. Occasionally I/Ic was not determined because it was not

feasible

.

A procedure has been adopted, to achieve

greater statistical accuracy [Hubbard and Smith,

1977]. For any weight fractions of sample and

corundum, Xg and Xj, (xg = l-x^,), the intensities

for reflection h of the sample and k of corundum were measured for several combinations of h and

k usually within the same region of 20, to provide indications of possible preferred orientation, extinction, or other systematic errors. The reference intensity ratio is then given by

I(h^) x^ I^^^k) 1(h)

1^(113) l'^^^(h) I(k)
and Cb^ ) indicates specifically which reflection

was chosen for tabulation purposes. For each of our patterns, the reflection (ho) 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, 1/1 f.. These values yield the tabulated

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

deviation, A, was obtained from

A =

nI

i=l

(I/I ). c 1 <I/I >

c

where n is the number of measurements of the

reference intensity ratio. The estimated deviation in the least significant figures is given

in parentheses.

Format of tables . The printing of the data

has been computerized. Superimposed reflections were treated in one of two ways. If a d-spacing

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

but with the second index. However, if there were

more than two possible indices, a plus sign was used in like manner. In both cases, the composite

intensity was printed only once and aligned with

the first reflection. The symbol "IL" in the

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

UNITS

In this publication the Angstrom unit (lA =

100 pm) was selected for presentation of the

d-spacings and lattice parameters to maintain

consistency with (a) the earlier publications of

Standard X-ray Diffraction Powder Patterns (Circular 539 volumes 1-10 and Monograph 25 sections

1-16), (b) the publications of the International

Union of Crystallography: Acta Crystallographica

and the Journal of Applied Crystallography, and

(c) the continuing publication of cards and search

manuals of the Powder Diffraction File (now con- sisting of over 33,000 entries). The PDF search

manuals are based on the d-spacings in A of the

three 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^).

ACKNOWLEDGMENTS

We would like to thank Carolyn Wingo of the

JCPDS Associateship for her 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.

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

by the U.S. Department of Conmerce, National

Bureau of Standards, Washington, D.C. 20234,

and the Joint Committee on Powder Diffraction

Standards, 1601 Park Lane, Swarthmore, PA

19081).

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.

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

Handwerker, D. S. (1963). Report #PB216188,

U.S. Dept. of Commerce, National Technical

Information Center, 5285 Port Royal Rd.,

Springfield, VA 22151, $3.50.

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

Crystals and the Polarizing Microscope

(Edward Arnold and Co., London, 4th Ed.)

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, p. 27.

Hubbard, C. R. , Swanson, H. E. , and Mauer, F. A. (1975). J. Appl. Crystallogr. 8, 45.

International Tables for X-ray Crystallography , I (1952). (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, or Color Kit, SRM 2107 which contains both

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

National Bureau of Standards, Office of Standard Reference Materials, Washington, DC

20234. Current prices will be quoted on

request.

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

Dana ' s System of Mineralogy (John Wiley and

Sons, New York, 7th- Ed.), I, 6. Smith, G. S. and Snyder, R. L. (1979). J. Appl.

Crystallogr. 12, 60.

Standard Reference Material 640 (1974), Silicon

Powder X-ray Diffraction Standard, obtainable

from the National Bureau of Standards, Office

of Standard Reference Materials, Washington,

DC 20234. Current price will be quoted on

request.

Swanson, H. E., Morris, M. C, and Evans, E. H. (1966). Nat'l. Bur. Std. U.S. Monogr. 25,

Sec. 4, 3. Visser, J. W. and de Wolff, P. M. (1964). "Absolute Intensities," Report 641.109, Technisch

Physische Dienst, Delft, Netherlands.

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

1, 108.

REFERENCES

Alexander, L. , Klug, H. P., and Kununer, E. (1948). J. Appl. Phys., 19, No. 8, 742.

4
Aluminum Borate, Al X8B4033

CAS registry no. 12005-61-7

Sample

The sample was prepared by heating a 1:1

mixture of AI2O3 and H3BO3 together at 1250 °C. The compound was later annealed

at 1500 °C.

Color

Colorless

Structure

Orthorhombic , Amam (63), A2iam (36), or Ama2 (40), Z = 1 (Scholze, 1956]. Baumann

and Moore [1942] reported data for this

phase. Although the lattice constants

were in good agreement with NBS constants,

their pattern does not index on the given

cell.

Lattice constants of this sample

a = 7.6874(8) A

b = 15.0127(15)

c = 5.6643(6)

a/b = 0.5121

c/b = 0.3773

Volume 0 653.70 A^

Density

(calculated) 2.685 g/cm^

Figure of merit

F30 = 65.2(0.010,45)

Reference intensity

I/I , = 1.27(5) corundum

Additional pattern

1. PDF card 9-248 [Scholze, 1956]

References

Baumann, H. N. , Jr. and Moore, C. H. , Jr. (1942). J. Amer. Chem. Soc. 25, No. 14,

391.

Scholze, H. (1956). Z. Anorg. Allg. Chem.

284 , 272.

CuKfli Y

= 1.540598 A; temp. 25±1 °C

lDt.6rndl standard Ag, a — A — H UoOjl

d(A) jrel hk£ 2e(°)

0 = ±3

7.52 1 0 2 0 11.76

5.375 100 1 2 0 16.48

5.301 18 0 1 1 16.71

52 1 1

1i 3.846 8 2 0 0 23.11

3.750M lb U 0 23.71

3.750M 0 3 1 23.71

3.419 14 2 2 0 26.04

0 . .J / jii 42 1 4 3.373M 1 3 1 26.40

3.111 2 2 1 1 28.67

2.831 7 0 0 2 31.58

2.685M 41 2 4 0 33.35

^ . Doon 2 3 1 ii . Jj

2.649 4 0 2 2 33.81

2.505 25 1 2 2 35.82

2.424 4 3 2 0 37.05

2.307 5 3 1 1 39.01

3 2 0 9 . Ho

2.260 1 / 14 0 4 2 39.85

2.181 27 2 2 2 41.36

2.169 10 1 4 2 41.61

2.116M 21 3 4 0 42.69

z . X ion 3 3 1 AO AQ

2.097 3 2 6 0 43.11

2.005 IL 0 7 1 45.18

1.9474 4 2 4 2 46.60

1.9415 2 1 7 1 46.75

1 09 1 ft 2 4 0 AU A7 OA

1.8733 5 0 1 3 48.56

1.8618 4 4 2 0 48.88

1 . 8424M 13 3 5 1 49.43

1.8424M 3 2 2 49.43

1 ft 1 12 1 1 QJ 1.7896 3 3 6 0 50.99

1.7776 5 2 7 1 51.36

1.7215 z 1 3 53.16

1.7105M 6 4 4 0 53.53

1.7105M 4 3 1 53.53

1.6852 14 2 6 2 54.40

1.5904 7 4 0 2 57.94

1.5650M 6 1 5 3 58.97

1.5650M 0 8 2 58.97

1.5564M 3 4 5 1 59.33

1.5564M 4 2 2 59.33

5
Al uminum Borate, Al 1 o f (continued)

d(A)

^rel

hkJi 2e(°)

a = ±3

1 .5330 2 1 8 2 60 . 33

1 .5130M 19 3 6 2 61.21

1.5130M 3 1 3 61.21

1

.

k/bk+ 3 5 1 1 62 . 90

\ .kl o't+ Z 5 3 OZ . 90

1 . HOH

J

z

/. t\z

O / 0 Oi . 'O

1.4496 7 2 8 2 64.20

1.4159 9 0 0 4 65.92

1 . 3982 2 2 10 0 66 . 86

1 . 3876 1 4 7 1 67 . 44

1 . 3694 2 1 2 4 CO 1 L 68 . 46

1.3560 3 3 5 3 69.23

1.3425M 3 4 8 0 70.03

1 Q /. O C M / boZ

~j r\ AO /U . Oj

1 "3 o n nJ. 1 A

5 z

oz /u . /y

1 . Jz9y+ Z

-7/ 5 /u . /y

1.3067 6 1 10 2 72.24

1.2953 2 3 10 0 72.98

1.2810 1 6 0 0 73 .93

1.2716 1 5 4 2 74 . 57

1 . ZD J 1 1 D Z u ID . Id 1.2533M 7 2 10 2 75.85

1.2533M 2 4 4 75.85

1 . ZO I J

r0

/NU Iz U

T c fin /5 . yy

1 . 2339 2 1 9 3 77 . 26

1 . 2296 1 4 9 1 77 . 58

1.2231 1 3 2 4 78.07

1 .2129+ 1 4 8 2 78.85

1 .2129+ 6 4 0

"70 0 c 78 . 85

1.1890+ 1 5 6 2 80.76

1 . 1890+ 2 9 3 80.76

1.1770 2 3 4 4 81.76

6
Ammonium Borate Hydrate, NH4B50g-4H20

1. Ammonium pentaborate tetrahydrate O 2. APT CuKOi A = 1.540598 A; temp

.

25±1 °C

CAS registry no. Internal standard Si, a = 5. 43088 A 12229-12-8

Sample

The sample was obtained from Fisher Scientific

o df A") jrel a = ±2

hk£

Co., Fair Lawn, NJ. It was recrystallized

frTim an aniif*oii<i ^nlii1"ioTi At* ronm t'eniDeT"— 6.00

5.67

63

12

10121014.74

15.63

ature

.

5.52 46 2 0 0 16.04

Color

Colorless

4.951 2 2 1 0 17.90

4.617 7 0 0 2 19.21

Structure

4.427

3.544

3.383

3.334

1 80

100

11

1 20

13

1 20.04

25. 11 26.32

26 . 72

Orthorhombic, Bba2 (41), Z = 4 [Cook and

Jaffe, 1957; Clark and Christ, 1959].

2

2

1

2

2

1 Lattice constants of this sample 3.271 9 3 27 .24

a = 11.033(3) A 3.003 4 2 2 2 29.73

b = 11.332(3) 2.926 7 3 2 1 30.53

c = 9.238(3) 2.868 4 1 1 3 31.16

2.834 31 0 4 0 31 .54

a/b = 0.9736 2. 760 2 4 0 0 32.41

c/b = 0.8152

2.680 2 4 1 0 33.41

Volume o 2.627 5 1 2 3 34. 10

1155.0 A^ 2.586 1 2 3 2 34.66

2.533 8 3 3 1 35 .41

Density 2.479 IL 4 2 0 36.20

(calculated) 1.565 g/cm^

2.414 1 0 4 2 37 .21 Figure of merit 2.367 4 4 0 2 37.98

= 57.2 (0.014,38) 2.332 4 1 3 3 38.58

2.317 9 4 1 2 38.83

Reference intensity 2.312M 9 3 1 3 38.93

I/I , = 1.08(6) corundum 2.312M 0 0 4 38.93

Additional pattern 2.212 8 2 4 2 40.75

1. PDF card 12-638 [Clark and Christ, 2. 182 16 3 4 1 41 . 35

1959] 2. 178 16 3 2 3 41 .43

2.158 4 1 I 41.83

References 2.138 3 0 2 4 42.24

Clark, J. R. and Christ, C. L. (1959). 2.107 7 5 1 1 42.88

Amer. Mineral. 44, 1150. 2.095M 2 2 5 0 43. 14 Cook, W. R. , Jr. and Jaffe, H. (1957). 2.095M 2 1 4 43. 14

Acta Crystallogr. 10, 705. 2.048 2 1 4 3 44.18

2.007M 7 5 2 1 45 . 15 2.007M 4 3 2 45 . 15

1 .909 6 2 5 2 47 .59

1 .888M 2 3 5 1 48. 16

1.888M 0 6 0 48. 16

1.856 4 2 3 4 49.03

1.817 4 4 4 2 50.16

1.7998M 2 1 5 3 50.68

1 . 799on 1 1 5 50 . 68

1.7715M 3 5 1 3 51.55

7
Ammonium Borate Hydrate, NH4B508*4H20 - (continued)

o d(A) jrel

cj = ±2

26(0)

1.7715M 4 0 4 51.55

1.7506M 3 4 5 0 52.21

1.7506M 4 1 4 52.21

1.7102M 2 5 A 1 53.54

1.7102M 5 2 3 53.54

1.7029 2 2 4 4 53.79

1.6533M 1 6 3 0 55.54

1.6533M 3 6 1 55.54

1.6206 XL 5 3 3 56.76

1.5780 1 1 7 1 58.44

1.5427 1 6 4 0 59.91

8
Ammonium Nickel Sulfate Hydrate , (NH4)2Ni(S04)2-6H20

CAS registry no. 51287-85-5

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lawn, NJ.

Color

Strong bluish green

Structure

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

was determined by Grimes et al. [1963] and by

Montgomery and Lingafelter [1964]. It is

isostructural with other "Tutton" salts

[Tutton, 1916].

Lattice constants of this sample

a = 9.1862(15) A

b = 12.468(2)

c = 6.2423(10)

p = 106.93(2)°

a/b = 0.7368

c/b = 0.5007

Volume o 684.0 A^

Density

(calculated) 1.918 g/cm^

Figure of merit

F30 = 63.7(0.012,38)

Reference intensity

'''''corundum 0-92(5)

Additional pattern

1. PDF card 12-454 [Institute of Physics,

Cardiff, Wales]

References

Grimes, N. W. , Kay, H. F. , and Webb, M. W. (1963). Acta Crystallogr. 16, 823.

Montgomery, H. and Lingafelter, E. C. (1964).

Acta Crystallogr. 17, 1478.

Tutton, A. E. (1916). Trans. Roy. Soc.

London Ser. A 216, 1.

0 CuKa^ k = 1.540598 A temp

.

25±1 "C

Internal standard w, a = 3 16524

0A

d(A) jrel hk£ 20(°) a = ±5

7.19 4 1 1 0 12.30

6.24 30 0 2 0 14.19

5.98 14 0 0 1 14.80

5.388 36 0 1 1 16.44

5.248 7 -1 1 1 16.88

0 d(A) jrel

a = ±5

hk£ 20(°)

5.090 20 1 2 0 17.41

4.397 19 2 0 0 20. 18

4.316 21 0 2 1 20.56

4.243 36 -1 2 1 20.92

4. 166 100 -2 0 1 21.31

4.147 66 2 1 0 21.41

3 . 952 6 -2 1 1 22.48

3.757 88 1 3 0 23.66

3.586 16 1 2 1 24.81

3.466 4 -2 2 1 25.68

3.410 14 0 3 1 26.11

3.376 18 -1 3 1 26.38

3. 119 20 0 4 0 28.60

3.037 32 2 1 1 29.39

3.027 44 -1 1 2 29.49

2.943 4 -2 3 1 30.35

2 .913 4 -3 1 1 30.67

2.903 5 0 1 2 30.77

2.892 6 -2 0 2 30.89

2.853 6 3 1 0 31 .33

2.816 6 -2 1 2 31.75

Z . 796 2. l 1 0 1 no

2. /90 ZD -

1

0I 2. 2 . 742 3 -1 4 1 32 . o3

2. 703 00 -3 2 1 33 . 12

2.651 1 3 2 0 33.79

2 . 623 2 -2 2 2 34. 16

2.550 6 1 1 2 35 . 17 2.541M 11 2 4 0 35.29

2.541M 1 4 1 35.29

2.501 7 2 3 1 35.88

2.430 25 -3 3 1 36.96

2.395 3 3 3 0 37 .52

2.374 2 -2 3 2 37 .86

2.302 2 0 5 \ 39 . 10

2.208M 16 1 3 2 40.84

2.208M 2 4 1 40.84

2 . 166+ 7 1 5 1 41 .67

2 . 166+ 4 1 0 41 .67

2.156M 9 0 4 2 41 .86

2.156M 2 1 2 41.86

2 . 134 9 3 4 0 42 . 31

2 . 120 6 -2 4 2 42.62

2.072 10 4 2 0 43.64

2 . 052 2 -2 0 3 44.09

2.049 2 -1 1 3 44.17

2 . 024 3 -2 1 3 44. 74

2.005 1 -4 3 1 45 . 19

1 .990 4 0 0 3 45 .54

1 .975 2 -4 2 2 45.92

1.963 4 0 6 1 46.22

i . 956 3 -1 6 1 46.39

1.950M 2 2 5 1 46.53

1.950M -2 2 3 46.53

1.942M 2 4 3 0 46.73
Ammonium Nickel Sulfate Hydrate, (NH4)2Ni ($04)2 •6H2O - (continued)

0 d(A)

O = ±5

hk£ 20(°)

1 . 942M -3 4 2 46.73

1 Q m 7 nu J

0£. Ll^ 1 . HJ

11 . Qn^ yyJD 1XUn _ •JJ

11

•3J i7 71

QJ J n Zi7 R7

i . 0 / oil a 11 0 1 Ho .

1.878M 2 6 0 48.44

1 .8575 7 -1 3 3 49 . 00

1 . 8389 5 -2 3 3 49 . 53

1 .8179 3 -5 50 . 14

11 • oyjyoii snQ'^M *A 0£. 11

1 .8095M 1 1 3 50.39

1 7QiQM QJ J u . 0 J

i. / !7H!?ll A A f)U sn R'^

1 7Q 1 Q ft0

0£. 4 9 sn Q9

1 . 7632 2 -5 2 \ 51.81

1.7588 4 -3 5 2 51.95

1 . 7401 4 5 0 52 . 55

1 7288M 9 _ 2 2 52 . 92

1 . 7288M -1 4 3 52 .92

1 7 1 7fi -5 11 9Q

1.7132 6 -2 4 3 53.44

1.7052 2 0 6 2 53.71

1.6855M 5 -4 2 3 54.39

1.6855M -4 5 1 54.39

1.6826 4 3 3 2 54.49

1.6750 3 1 3 3 54.76

10
Ammonium Sulfate, (NH4)2S203

Synonym

1. Aimnonium thiosulfate

CAS registry no. 7783-18-8

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lawn, NJ.

Color

Colorless

Structure

Monoclinic, C2/m (12), Z = 4. The structure

was determined by Brunt [1946]. A line at

26 = 23.06 with 1=4, could not be indexed.

Lattice constants of this sample

a = 10.2233(15) A

b = 6.4956(9)

c = 8.8074(10)

p = 94.66(1)°

a/b = 1.5739

c/b = 1.3559

Volume o 582.93 A^

Density

(calculated) 1.689 g/cm^

Figure of merit

F30 = 91.0(0.010,34)

Reference intensity

I/^corundum = '-''^'^

Additional pattern

1. PDF card 1-844 [Hanawalt et al., 1938]

References

Brunt, N. A. (1946). Diss. Leiden pp. 64.

Hanawalt, J. D., Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

0 CuKoii k = 1.540598 A; temp

.

25±1 "C

Internal standard Si, a = 5.43088 A

d(A) jrel hk£ 2e(°) a = ±8

5.480 16 1 1 0 16.16

5.093 44 2 0 0 17.40

4.741 93 -1 1 1 18.70

4.553 100 1 1 1 19.48

4.386 76 0 0 2 20.23

0 d(A) jrel

0 = ±8

hkS, 2e(°)

4.257 18 2 0 1 20.85

3.501 16 -1 1 2 25.42

3.469 14 -2 0 2 25.66

3.353 32 1 1 2 26.56

3.248 18 0 2 0 27.44

3.199 28 2 0 2 27.87

3.046 22 0 2 1 29.30

3.010 74 3 1 0 29.66

2.925 8 0 0 3 30.54

2.915 9 -3 1 1 30.65

2.785 9 3 1 1 32.11

2.739 6 2 2 0 32.67

2.629M 62 -2 0 3 34.07

2.629M -1 1 3 34.07

2.612 32 0 2 2 34.31

2.582 14 2 2 1 34.71

2.569 13 -3 1 2 34.90

2.547 8 4 0 0 35.21

2.536 8 1 1 3 35.36

2.500 2 -4 0 1 35.89

2.453 5 2 0 3 36.61

2.402 6 3 1 2 37.41

2.395 6 4 0 1 37.52

2.371 20 -2 2 2 37.92

2.286 6 -4 0 2 39.39

2.280 6 2 2 2 39.50

2. 195 6 0 0 4 41.09

2. 178 6 -3 1 3 41.42

2. 129 3 4 0 2 42.42

2. 118 2 1 3 0 42.65

2.078 4 -2 0 4 43.51

2.0688M 5 -1 1 4 43.72

2.0688M -1 3 1 43.72

2.0510 4 1 3 1 44.12

2 . 0444 4 -2 2 3 44.27

2.0270 2 3 1 3 44.67

2.0065 6 1 1 4 45.15

1.9824 2 -4 2 1 45.73

1 .9582M 7 2 0 4 46.33

1 .9582M 2 2 3 46.33

1.9451 3 5 1 0 46.66

1.9271 3 4 2 1 47.12

1.8946 3 1 3 2 47.98

1.8686M 3 -4 2 2 48.69

1.8686M 5 1 1 48.69

1.8368 2 -3 1 4 49.59

1.8319 2 -5 1 2 49.73

1 . 8261 4 3 3 0 49 . 90

1.8186 12 0 2 4 50.12

1.8031 7 -3 3 1 50.58

11
Ammonium Sulfate, (NH4)2S203 - (continued)

o d(A)

-rel

I O = ±8hkS. 26(°)

1.7814 2 4 2 2 51.24

1.7559 5 0 0 5 52.04

1.7294M 10 -1 3 3 52.90

1.7294M 5 1 2 52.90

1.7159 3 3 1 4 53.35

1.7117 4 -3 3 2 53.49

1.7052 6 -4 2 3 53.71

1.7023M 6 -2 0 5 53.81

1.7023M 1 3 3 53.81

1.6933M 6 -1 1 5 54.12

1.6933M -6 0 1 54.12

1.6801 4 -5 1 3 54.58

1.6775 4 2 2 4 54.67

1.6599 2 3 3 2 55.30

1.6508 2 1 1 5 55.63

1.6196 1 2 0 5 56.80

1.6066 1 4 2 3 57.30

1.5967 1 0 4 1 57.69

1.5809 2 -3 3 3 58.32

1.5665 4 -3 1 5 58.91

12
Ammonium Sulfate, (NH4)2S20s

Synonym

Ammonium persulfate

Sample

The sample was from Fisher Scientific Co. Fair Lawn, NJ. The sample was hygroscopic.

Color

Colorless

Structure

Monoclinic, P2i/n(l4), Z = 2. The structure of

(^4)28208 has been determined by Zachariasen

and Mooney [1934] and refined by Sivertsen and

Sorum [1969].

Lattice constants of this sample

a = 7.829(2)

b = 8.0075(14)

c = 6.1483(12)

P = 95.12(2)°

a/b = 0.9777

c/b = 0.7678

Volume o 383.90 A^

Density

(calculated) 1.974 g/cm^

Figure of merit

F30 = 41.9(0.015,48)

Additional pattern

1. PDF card 11-551 [University College, Cardiff,

Wales]

References

Sivertsen, B. K. and Sorum, H. (1969) Z. Kristallogr. Kristallgeometrie Kristallphys.

Kristallchera. 130, 449.

Zachariasen, W. H. and Mooney, R. C. L. (1934)

Z. Kristallogr. Kristallgeometrie Kristallphys

Kristallchera. 88, 63.

0 CuKOi \ = 1.540598 A; temp

.

25±1 °C

Internal standard w, a = 3 16524

0A

d(A)

jrel

hkS. 2e(°)

0 = ±6

5.583 42 1 1 0 15.86

5.038 62 -1 0 1 17.59

4.862 14 0 1 1 18.23

4.621 10 1 0 1 19.19

4.261 12 -1 1 1 20.83

0 d(A) jrei

0 = ±6

hk£ 2e(°)

ou n 9 99 . 9^^0

\ \ 22 . 23

62 \ 2 0 24.99

69 2 I 0 25 . 42

3.347 100 0 2 1 26.61

1 54 Ow -2 \ 28.27

06"^ 16 0 0 2 ^9Q7 . 1X 0 J . 1 9 1I

1X 9Q

1

Q

1i1X Ou . 00

2.860 18 0 1 2 31.25

2. 761 9 -1 2 32 . 40

2.606 -2 2 ^4 "^Q o*^ . 0

7

2.526 3 3 0 35 .51 2.483 28 2 2 36 . 15

2.475M 25 -3 0 1 36.27

2 . 475M 50 0 36 . 27

A n 9 9 ^6OU . Q97^

9 UCi'\ _0£.

1X 9 0^7/ . 01QJ 9 ^70 A _ -11 0 9 ^7 0*^ J / . 70

2 . 309M 8 1 3 1 38.97

2 . 309M 2 0 2 00^8 . Q77 / 2.220 10 2 2 2 40 . 61

2.204 ft 2

•50 0 40 .92

2. 181 2 3 2 0 41 . 36

2.041 16 2 3 1 44.35

9 mo 9 1 u 0 LL 9S\ A 0 9 ASHJ . ftl U 1 2 . 007 2 \ 45 1

4

1 . ^ / oil C X 0 *4 J . OH

1.978M -1 3 2 45.84

0 11 A HU . OU

0 1X n

•30 A^i Q7

1 Q91 u \ 0 2 47 97

1 R7Q1 A X

1X 0 48 40

1.8625 6 3 3 0 48.86

1 K494 9 0

9 9 H7 . HO

1 .8368 \j 1X 4 X AQ^+7 . 0SQ7 1.0 XHJ 0 0

1X Ov^n . 9A

11 . 7R0S / OwO /.H n 0SIX . z.97/

1 . 7660 2 4 1 1 51.72

1X . 7S0Q / OV7 0

•J0 0 \ 0•^9Z. . 90

1 . 7459 0 2 3 2 019Z. . "^fi OU

1.7285 2 -2 4 1 52.93

1.7221 11 -4 2 1 53.14

1.6750 2 0 4 2 54.76

1.6549 2 -1 4 2 55.48

1.6505 4 4 2 1 55.64

1.6000 3 2 2 3 57.56
Cadmium Bromate Hydrate, Cd(Br03)2-2H20

Synonym

1 . Cadmium bromate dihydrate

CAS registry no. 19320-65-1

Sample

The sample was prepared by dissolving

anhydrous Cd(Br03)2 in water and letting

it dry. The sample was then washed.

Color

Light orange yellow.

Structure

Orthorhombic, P2i2i2i (19), Z = 4. The

structure was studied by Garcia-Blanco and

Perales [1963).

Lattice constants of this sample

a = 9.2417(10) A

b = 12.5015(13)

c = 6.1762(6)

a/b = 0.7392

c/b = 0.4940

Volume o 713.57 A3

Density

(calculated) 3.763 g/cm^

Figure of merit

F30 = 62.5(0.012,39)

Reference intensity

I/I corundum 2.9(2)

Additional pattern

1. PDF card 1-0353 (labelled monohydrate)

[Hanawalt et al. 1938]

References

Garcia-Blanco, S. and Perales, A. (1963).

Acta Crystallogr. 16, A34.

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

Frevel, L. K. (1938). Ind. Eng. Chem.

Anal. Ed. 10, 457.

0 CuKOj \ = 1.540598 A; temp. 25±1 °C

Internal standard w, a = 3. 16524 A

0 Ata (.a; \^ rel

1 hk£ a = ±1

6.24 22 0 2 0 14.18

5.538 28 0 1 1 15.99

5. 172 1 1 2 0 17.13

5. 131 1 1 0 1 17.27

4.746 4 1 1 1 18.68

4.621 1 2 0 0 19.19

4.397 100 0 2 1 20.18

3.969 4 1 2 1 22.38

3.799 2 1 3 0 23.40

3.714 15 2 2 0 23.94

3.700 15 2 0 1 24.03

3.546 21 2 1 1 25.09

3.453 22 0 3 1 25.78

3.236 11 1 3 1 27.54

3.184 26 2 2 1 28.00

3. 123 12 0 4 0 28.56

3.091M 24 2 3 0 28.86

3.091M 0 0 2 28.86

2.996 5 0 1 2 29.80

2.990 5 3 1 0 29.86

2.959 3 1 4 0 30. 18 2.929 IL 1 0 2 30.50

2.851 14 1 1 2 31.35

2.769M 16 0 2 2 32.31

2.769M 2 3 1 32.31

2.692 5 3 1 1 33.25

2.669 3 1 4 1 33.55

2.651 3 1 2 2 33.79

2.590 3 2 4 0 34.61

2.568 2 2 0 2 34.91

2.514 10 2 1 2 35.68

2.480 4 0 3 2 36.19

2.477 3 3 3 0 36.24

2.396 5 1 3 2 37.51

2.389 6 2 4 1 37.62

2.375 7 2 2 2 37.85

2.318 5 0 5 1 38.81

2.273 8 4 1 0 39.62

2.248 5 1 5 1 40.07

2. 196M 22 0 4 2 41 .07

2. 196M 3 4 0 41.07

2.181 5 3 0 2 41.36

2.164 2 4 0 1 41.70

2.148 3 3 1 2 42.02

0 1 4 2 . £.D

14
Cadmium Bromate Hydrate,

d(A) I hkZ 2e(°) o = ±1

2. 133 5

/ 1 1 J5

O AO O if U 0 U

A 1 H X 2.071 11 2 5 1 43. 68

2.067 10 3 4 1 43. 77

n f\/. /. rO Z 1 A A O 7 Z /

Z . \J3on. Qy 1 o nu ^L

U X LL c;A 2.011 3 1 0 3 45 05

1.9845M 4 1 1 3 45 68

I . yo*fDn Z Z

At; DO

1 . y /4/ Z u O 1 A i;. Q9VZ

1 Q/./.'i U

c0 Z L^ Aft oiS 1.9322M 3 3 3 2 46 99

1.9322M 1 6 1 46 99

1 Q 1 Q*^ A A oJ X Ll jZ

11 . O71iZZ90 1 Z Ll J X

1

1X cJ Z

A 7 fin 1.8810 1 2 0 3 48 35

1.8597 1 2 1 3 48 94

1 . ojUl Z

AHr\U Z AO

1 Q A ^ O 1 U

oOo A Q Jz

1 . OZoD 1 cJ 1 U AQ ft Q 1.8159 5 2 6 1 50 20

1.8008 3 2 2 3 50 65

1 7&fiA X . / ooO *A Z

i; 1 J 1 uz

J

A

1 r n D X JZ

1 . /D^f /rl 11 1

-7/ U OZ Uo

1.7547M 5 1 1 52 08

1.7194 2 0 4 3 53 23

1 . / 14 /n u / 1 c o D J

1 71/. 7M Z

oJ JO jy

1 , / KJHV z

c Z X R /D

1.6967+ 3 4 5 0 54 00

1.6967+ 3 1 3 54 00

1 . oyuHT 0 X A i; A 0 9 . ZZ

1 ^OAA-i. 1 . oyuHT r0 UA . ZZ

1 . Do /

Z

cJ X 7 1 A

1 . OOoD Z z

7 f\U

c c 33 . Uo

1.6621 3 3 6 1 55 .22

1.6511 1 3 2 3 55 .62

1.6432 3 3 5 2 55 .91

1.6362 2 4 5 1 56 .17

1.6298 3 5 3 1 56 .41

1.6177 1 2 6 2 56 .87

1.6110 3 2 4 3 57 .13

Cd(Br03)2-2H20 - (continued)

o rel

X

a = ±1

2e(°)

% cr\Q/,

1 . OUoM^ oJ

9Z7/

11 57

.

23

1.5921 2 4 4 2 57 87

1.5901M 2 5 4 0 57 95

1 .5901M 0 5 3 57 95

1.5831 4 3 3 3 30 o o 23

X.J/ J

J

X CJ X Z9 38 6Z

1.5633 2 0 8 0 59 Oh

1.5457M 2 0 7 2 59 78

1.5457M 3 7 0 59 78

1.5413M 3 1 8 0 59 97

1 C A 1 OM c3

A

1 59 97

1.5373M 2 5 2 2 ou 1 A IH 1.5373M 4 0 3 60 14

1.5327 3 0 1 4 60 34

1.5243 1 1 7 2 AnoU / 1

1 1 Lfi 1 . J XHO 9 \j 0o X o 1

1 A IH 1.5117 3 1 1 4 ol 2 / 1.5030 1 2 5 3 61 66

1.5006M 1 3 4 3 61 77 1.5006M 4 6 1 61 77

1 nU

9zA ol 85

1.4989M 3 7 1 61 85

1.4945M 1 1 8 1 62 05

1.4945M 6 0 1 62 05

1.4866M 2 4 5 2 o2 42

CJ

c3 AU 62 42

1.4838 3 6 1 1 o2 55

1.4657 3 2 7 2 63 41 1.4641M 3 2 0 4 63 49

1.4641M 0 6 3 63 49

1 A A 0 O oJ uQJA 64 27

1.4445M 2 5 5 1 64 . 45

1 . 4445M 6 3 0 64 .45

1.4303 2 1 3 4 OJ 1 7 . X / 1.4255 1 2 2 4 65 .42

1.4130M 1 4 7 0 66 .07

1.4130M 3 5 3 66 .07

1.4070 1 6 3 1 66 .39

1.3942M 2 0 8 2 67 .08

1.3942M 3 8 0 67 .08

15
Calcium Sulfate Hydrate (Gypsum), CaS04*2H20

Synonym

1. Calcium sulfate dihydrate

CAS registry no. 10101-41-4

Sample

The sample was prepared by adding H2SO4 to a water solution of Ca(N03)2. The precipitate

was filtered. out , washed in water, and bottled

while moist. The crystals were dried immediately before use, and care was taken to prevent dehydration.

Color

Colorless

Structure

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

was determined by Wooster [1936] and refined

by Atoji and Rundle [1958].

Lattice constants of this sample

a = b =

c =

6.2845(11)

15.2079(15)

5.6776(7)

P = 114.09(1)°

a/b = 0.4132

c/b = 0.3733

Volume o 495.37

Density

(calculated) 2.308 g/cm^

Figure of merit

F30 = 47.4(0.013,49)

Reference intensity

I/I , = 1.83(4) corundum

Additional patterns

1. PDF card 6-0046 [F. H. Cillery, Pennsylvania

State University, University Park, PA]

2. PDF card 21-816 [Technisch Physische Dienst,

Delft, Holland]

References

Atoji, M. and Rundle, R. E. (1958). J. Chem.

Phys. 29, 1306.

Wooster, W. A. (1936). Z. Kristallogr. Kristallgeometrie Kristallphys . Kristallchem.

94, 375.

CuKai \ = 1.540598 A; temp. 25±1 °C

o Internal standard Si, a = 5.43088 A

d(A) jrel a = ±4hkS. 2e(°)

7 63 100 0 2 0 11. 59

4 283 98 0 2 1 20. 72

3 799M 17 0 4 0 23. 40

3 799M 1 3 0 23. 40

3 172 4 1 1 1 28 11

3 065 74 0 4 1 29 11

2 873 47 -2 2 1 31 10

2 789 10 -1 1 2 32 07

2 732 2 1 3 1 32 75

2 685M 34 1 5 0 33 35

2 685M 2 2 0 33 35

2 597 6 -1 5 1 34 51

2 534 2 0 6 0 35 39

2 495 11 -2 0 2 35 97

2 476 1 -1 3 2 36 25

2 452 6 0 2 2 36 62

2 406 4 -2 4 1 37 35

2 291 IL 2 4 0 39 29

2 219 15 1 5 1 40 63

2 142 2 0 4 2 42 15

2 086 24 -2 4 2 43 34

2 074M 15 -1 5 2 43 60

2 074M -3 1 1 43 60

2 048 6 1 1 2 44 18

2 032 IL 1 7 0 44 56

1 992 4 -1 7 1 45 51

1 963 3 -2 6 1 46 22

1 8998M 16 0 8 0 47 84

1 8998M 2 6 0 47 84

1 8795 12 2 4 1 48 39

1 8650 3 -1 1 3 48 79

1 8118 13 0 6 2 50 32

1 7995 6 -2 2 3 50 69

1 7844 9 0 8 1 51 15

1 7785 12 -2 6 2 51 33

1 .7093 1 1 5 2 53 57

1 6846 3 0 2 3 54 42

1 6640 6 -2 4 3 55 15

1 .6456 4 2 6 1 55 82

1 .6209+ 9 -2 8 1 56 75

1 6209+ 1 9 0 56 75

1 .6005 1 -1 9 1 57 54

1 5846 4 2 8 0 58 17

1 .5327 2 0 8 2 60 34

1 .5209+ 1 0 10 0 60 86

16
Calcium Sulfate Hydrate (Gypsum), CaSo4*2H20 - (continued)

d(A)

jrel a = ±4

hk£ 2e(°)

1.52091- -4 2 2 60.86

1.5119 1 -2 8 2 61.26

1 .4982 IL 1 9 1 61.88

1 .4947 IL -2 6 3 62.04

1.4591+ 3 -3 7 2 63.73

1.4591+ 0 10 1 63.73

1 .4392 5 -4 4 1 64.72

1.4354 3 3 7 0 64.91

1.4278M 2 2 8 1 65.30

1.4278M 0 6 3 65.30

1 .4178 3 -2 0 4 65.82

1 .4015 2 -4 2 3 66.68

1.3657M 5 2 6 2 68.67

1 . 3657M -2 10 1 68.67

1 . 3440M 1 1 11 0 69.94

1.3440M 2 10 0 69.94

1.3324 2 -1 11 1 70.64

1.3262 4 -2 8 3 71.02

1.3234 4 -4 6 2 71.19

1.2785 1 0 8 3 74. 10

1.2722 IL 1 11 1 74.53

1.2674 IL 0 12 0 74.86

1.2481M 3 4 6 0 76.22

1.2481M -4 0 4 76.22

1.2441 2 2 10 1 76.51

1.2336 3 2 8 2 77.28

1.2309+ 2 -4 2 4 77.48

1.2309+ 0 12 1 77.48

17
Calcium Tin Oxide, CaSnOs

Synonym

1. Calcium stannate

CAS registry no. 12013-46-6

Sample

The sample was obtained from CERAC, Inc. Milwaukee, WI . The material was heated to 800 "C for one hour. A small amount of Sn02 was present in the sample.

Color

White

Structure

Orthorhombic, P2i2i2i (19), Z = 4. The structure

of CaSnOa was studied by Smith and Welch [I960].

Lattice constants of this sample

a = 5.6615(5) A

b = 7.8825(7)

c = 5.5162(5)

a/b

c/b

0.7182

0.6998

Volume o 246.17 A3

Density

(calculated) 5.579 g/cm^

Figure of merit

F30 = 55.5(0.011,51)

Reference intensity

I/I . = 6.5(4) corundum

Additional patterns

1. PDF card 3-755 [H. D. Megaw, Philips Lamps

Ltd.]

2. Coughanour et al. [1955]

References

Coughanour, L. W. , Roth, R. S., Marzullo, S.,

and Sennett, F. E. (1955). J. Res. Nat. Bur. Stand. 54, No. 3, 149.

Smith, A. J. and Welch, A. J. E. (1960). Acta.

Crystallogr. 13, 653.

0 CuKoj A. = 1.540598 A; temp

.

25±1 °C

Internal standard W, a = 3 16524

0A

d(A) jrel hk£ 2e(°)

0 = ±1

3.943 60 0 2 0 22.53

3.531 2 1 1 1 25.20

2.830 26 2 0 0 31.59

2.789 100 1 2 ] 32.07

2.758 23 0 0 2 32.44

0 J A ^ d(A) ,rel

1 a = ±1

hk£ 2e(°)

2.518 IL 2 0 1 35.62

2.480 1 1 0 2 36.19

2.398 1 2 1 1 37.47

2.371 3 0 3 1 37.91

2.366 3 1 1 2 38.00

2.298 3 2 2 0 39.17

2.259 3 0 2 2 39.87

2.188 2 1 3 1 41.22

2.122 1 2 2 1 42.56

2.099 IL 1 2 2 43.06

1.9751 32 2 0 2 45.91

1.9714 29 0 4 0 46.00

1.9256 1 2 3 0 47.16

1.9168 1 2 1 2 47.39

1.8183 IL 2 3 1 50.13

1.8038 IL 1 3 2 50.56

1.7853 7 3 0 1 51.12

1.7638 19 1 4 1 51.79

1.7484 4 1 0 3 52.28

1.7076 1 1 1 3 53.63

1.6266 15 3 2 1 56.53

1.6177 12 2 4 0 56.87

1.6030 15 0 4 2 57.44

1.5984 23 1 2 3 57.62

1.5420M IL 1 4 2 59.94

1.5420M 2 0 3 59.94

1.4766 1 3 3 1 62.89

1.4155 2 4 0 0 65.94

1.3951 2 2 4 2 67.03

1.3788 10 0 0 4 67.93

1.3393M IL 1 0 4 70.22

1.3393M 3 3 2 70.22

1.3362 1 2 5 1 70.41

1.3320 2 4 2 0 70.66

1.3301M 2 1 5 2 70.78

1.3301M 2 3 3 70.78

1.3231 4 3 4 1 71.21

1.3173 2 3 0 3 71.57

1.3082 2 1 4 3 72.15

1.3021 1 0 2 4 72.54

1.2592 2 4 0 2 75.43

1.2489 7 3 2 3 76.16

1.2466M 9 1 6 1 76.33

1.2466M 4 3 0 76.33

1.2398 3 2 0 4 76.82

1.2324 IL 2 5 2 77.37

1.2247 IL 2 1 4 77.95

1.2144 IL 2 4 3 78.74

1.1994 2 4 2 2 79.92

1.1966 2 0 5 3 80.14

18
Calcium Tin Oxide, CaSnOs - (continued)

o d(A) a = ±1

hk£ 2e(°)

1.1916 2 0 80 . 55

1 . 1861 1 0 6 2 81 . 00

1 . 1825 3 2 2 4 81 . 30

1 . 1708 IL 1 5 3 82.28

1.1499 2 4 4 0 84.12

1.1358 IL 4 3 2 85.41

1.1300 2 0 4 4 85.95

1.1092 1 5 0 1 87.97

1.0948 2 3 4 3 89.43

1.0939 2 2 6 2 89.53

19
Cerium Nitrate Hydrate, Ce(N03)3-6H20

Synonym

1. Cerous nitrate hexahydrate

CAS registry no. 10294-41-4

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lavm, NJ.

Color

Colorless

Structure

Triclinic, PI (2), Z = 2. The structure of

Ce(N03)3 •6H2O was studied by Iveronova

et al. [19551.

Lattice constants of this sample

a = 8.905(2) A

b = 10.683(3)

c = 6.6182(14)

a = 101.18(2)°

P = 102.19(2)

V = 87.89(2)

a/b = 0.8336

c/b = 0.6195

Volume o 603.7 A^

Density

(calculated 2.389 g/cm^

Figure of merit

F30 = 45.8(0.013,51)

Reference intensity

I/I , = 0.44(3) corundum

Additional pattern

1. PDF card 14-3 [Hanawalt et al., 1938]

References

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

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

10, 457.

Ivernova, V. I., Tarasova, V. P., Zolina,

Z. K. , Markhasin, G. V., and Sukhodereva,

I. M. (1955). Zh. Fiz. Khim. 29, 314.

0 CuKai A. = 1.540598 A; temp 25±1 °C

Internal standard Si, a = 5.43088 A

d(A) jrelhkSL 2e(°) a = ±5

8.70 21 1 0 0 10.16

6.71 85 -1 1 0 13.19

6.37 60 0 0 1 13.90

5.96 76 0 -1 1 14.85

5.73 54 -1 0 1 15.44

0 d(A) jrei a = ±5

hk£ 2e(°)

D . J / X X

1X

1XOA . Z?9Q HZ z9 A XD . O7 AA 1X X 1 7 AA

L 701 1 on X

1X X XO . OD

4.487M 39 0 -2 1 19.77

4.487M 1 2 0 19 . 77

4. 358 46 2 0 0 20.36

4.017 22 2 0 22. 11 _0 0 1X zz9? * zu90

3.890 14 -2 -1 1 22.84

1 Q 1 _oz 1X ZO9^ > JOSft 711 D n z

1X Z9^J . Qfi 70

^ S76 4

_ \ 0z \ zt9A ftft . 00

2 0

•3 0 25.48

3.375 28 -2 -2 1 26.39

3 . 341M 21 0 -3 \ 26.66

3.341M 2 2 0 26.66

J . Z.** / LI 0 97 AS

Q OA7M X .1 0z Z97# . ASHJ 3.237M 33 1 3 0 27.53

D • f 11 -1 J 97 S^

91'^ '^7 n X z 97Z / • 7A# H

J • 1 / J n u z9 9Rzo . ORuo

9 1X 1X 29 . 28

3.013M 25 1 -3 1 29.63

3 . 013M -2 2 J 29.63

3 . 002 28 -1 -2 2 29 . 74

? Q7Q 29 0 -2 2 29.97

AS _i 1X 2 ^0 67

2

.

892M 47 -2 -1 2 30.89

9 ftQ9M n 1X 9z ^0 ftQ 9 ft 1 1 1 1 _o nu

1X J

"^1X . ORuo

9 R^A 1 1 nu z9 J

"^1X • zu90

^ . 0j7 '^1 J X 0 31.49

2.832M 28 -3 -1 1 31.57

2.832M 1 -1 2 31.57

2 . 802M 11 1 0 2 31.91

9 ftn9M X n 0

•^1X . Ql3 X 9 7 QAM z

1X JZ^9 • 01U X 9 7 QAM •3J X u JZ^9 • 01V X

2.715+ 21 -3 1 1 32.96

9 71 S + -2 -2 2 32.96

Z . OD Oil 1 Q 1X _0z 2 33 . 63

z9 . AA'^M 00 on 0z

0z1X . UJ 2.651 35 -2 1 2 33.78

2.620 28 0 4 0 34.19

2.611M 30 -3 -2 1 34.32

2.611M 0 -3 2 34.32

2.550 19 -1 -4 1 35.16

2.542 14 -3 2 0 35.28

20
Cerium Nitrate Hydrate, Ce(N03)3*6H20 - (continued)

o ^rel

U — ZD

hIrO UKX

2.533 18 3 2 0 35.41

2.527M 24 -1 2 2 35.49

2.527M 2 -3 1 35.49

2.490 18 -2 3 1 36.04

2.452 20 3 0 1 36.62

2.440 15 1 -4 1 36.80

2.424 13 -2 -3 2 37.05

2.405 13 -3 0 2 37.36

2.393 5 1 -3 2 37.56

2.359 6 2 -1 2 38.12

2.352 12 -2 2 2 38.24

2.316M 23 -2 -4 1 38.85

2.316M -3 -3 1 38.85

2.313M 26 -3 -2 2 38.91

2.313M 1 2 2 38.91

2.291 32 3 -2 1 39.30

2.280 31 2 3 1 39.49

2.265 14 2 -2 2 39.77

2 . 249M 28 -1 -4 2 40.06

2 . 249M -2 4 0 40.06

2.243M 24 -1 4 1 40.17

2.243M 0 -4 2 40.17

2.227 5 3 3 0 40.47

2.204M 19 -1 -1 3 40.91

2.204M -4 0 1 40.91

2.184 13 -4 -1 1 41.31

2.159+ 27 1 4 1 41.80

2.159+ 3 2 1 41.80

2.153M 27 0 3 2 41.92

2.153M -1 -2 3 41.92

2.137 22 -3 3 1 42.26

2.129M 26 -4 1 1 42.43

2.129M 4 1 0 42.43

2.116M 35 0 0 3 42.70

2.116M 0 -5 1 42.70

2.107 28 0 -2 3 42.89

2.088 20 2 -3 2 43.29

2.081 20 -2 0 3 43.44

2.077M 21 -3 2 2 43.53

2.077M -4 -2 1 43.53

2.053 11 -2 3 2 44.08

2.039 22 -1 5 0 44.39

2.035M 17 1 5 0 44.49

2.035M 2 2 2 44.49

2.024+ 6 1 -5 1 44.74

2 . 024+ 1 3 2 44.74

-4 o nli HJ . U 1 1.999 19 -4 0 2 45.33

1.987M 8 -4 2 1 45.63

1.987M 0 -3 3 45.63

1.973 10 -2 1 3 45.97

21
Chromium Boride, ^-CrB

CAS registry no. 12006-79-0

Sample

The sample was obtained from Cerac, Menomonee

Falls, WI.

Color

Metallic gray

Structure

Orthorhombic , Cmcm (63), Z - U. The structure

was determined by Kiessling [1949].

Lattice constants of this sample

a - 2.9663(4) A

b = 7.8666(10)

c = 2.9322(5)

a/b = 0.3771

c/b = 0.3727

Volume o 68.422 A^

Density

(calculated) 6.097 g/cm^

Figure of merit

Fjg = 62.9(0.013,24)

Reference intensity

I/I , = 1.22(8) corundum

Polymorphism

Papesch et al., [1973] also observed a tetragonal

low temperature form of CrB with 52-56 atom % B.

o

CuKc(]^ \ = 1 .540598 A ; temp

.

25±1

Internal standard W > ^ = 3 .16524 A

o -.rel

X hkil a = ±6

3 936 5 0 2 0 22.57

2 776 38 1 1 0 32.22

2 351 74 0 2 1 2 016 100 1 1 1 44.92

\ 965M 79 0 4 0 46.15

1 965M 1 3 0 46.15

1 1 3 1 56.32

11 XH 2 0

rtu

1X X / 0 0 2 63.38

^RRI 1 T XXj 2 2 0 67.41

1 3111 6 0 6 0 71.96

\ 2961 12 1 1 2 72.93

1 2555 34 1 5

\ 2543 30 2 2 1 75.78

\ 1970 9 0 6 1 80.11

1 1840 12 2 4 0 81.17

1 1752M 30 0 4 2 81.91

1 1752M 1 3 2 81.91

1 0980 13 2 4 1 89.10

1 0509 13 1 7 0 94.27

1 0427 14 2 0 2 95.25

Additional pattern

1. PDF card 9-361 [Plessey Co. Ltd., Caswell,

Towcester, Northants, England].

References

Kiessling, R. (1949). Acta Chem. Scand. 3,

595.

Papesch, G. , Nowotny, H. , and Benesovsky, F. (1973). Monatsh. Chem. 104, 933.

22
Chromium Chloride CrCl,

Synonyms

1. Chromic chloride

2. Chromium trichloride

CAS registry no. 10025-73-7

Sample

The sample was obtained from Fisher

Scientific Co., Fair Lawn, N.J.

Color

Deep purple red.

Structure

Monoclinic, A2/m (12), Z 4, pseudohexagonal. The structure was determined

by Morosin and Narath [1964]. This form

exists at room temperature.

Lattice constants of this sample

a = 6.123(2) A

b = 10.311(3)

c = 5.956(5)

P ^ 108.64(5)°

a/b

c/b

0.5938

0.5776

Volume o 356.3 a3

Density

(calculated) 2.952 g/cm^

Figures of merit

Fi9 = 13.2 (0.018,80)

= 16.0

Reference intensity

I/I , ^ 4.5(2) corundum

Polymo rphism

There is a hexagonal form found by

Wooster [1930] and a low temperature

form also found by Morosin and Narath

[1964]

.

Additional pattern

1. PDF card 6-535 [Handy and Gregory,

1952]

o CuKaj \ - 1 .540598 A; temp

.

25±1 °C

Internal standard W, a = 3 16524 A

o d(A)

jrel

hkje 26 (°) a = ±3

5.80 100 1 0 0 15.27

5.154 1 0 2 0 17.19

3.849 IL 1 2 0 23.09

2.936M 2 0 3 1 30.42

2.936M -1 0 2 30.42

2.901 14 2 0 0 30.80

2.816 1 0 0 2 31.75

2.577 1 0 4 0 34.78

2.475 2 0 2 2 36.27

2.460 6 1 3 1 36.49

1.934 1 3 0 0 46.94

1.911 1 2 3 1 47.54

1.754 3 -3 3 1 52.09

1.720 3 -1 3 3 53.21

1.6511M 1 3 1 1 55 . 62

1 .6511M 0 3 3 55.62

1.6478M 1 1 6 0 55.74

1.5039 IL 3 3 1 61.62

1 .4498M 6 -3 5 1 64. 19

1.4498M 4 0 0 64. 19 1.4115M 1 0 0 4 66. 15 1.4115M -2 2 4 66. 15

1 . 3954M 1 4 2 0 67.01

1.3954M -4 3 1 67.01

References

Handy, L. L. and Gregory, N. W. (1952).

J. Am. Chem. Soc. 74, 891.

Morosin, B. and Narath, A. (1964). J. Chem. Phys. 40, 1958.

Wooster, N. (1930). Z. Kristallogr.

Kristallgeometrie Kristallphys

.

Kristallchem. 74, 363.

23
Chromium Iron Oxide, Cri^Feo.yOs

Sample

The sample was obtained from the City Chemical

Corp., New York, N. Y. It was labelled iron

chromite (FeCr204). The approximate composition

was determined by the relation of the cell parameters to those of Fe203 and Cr203. This is a solid solution between hematite (Fe203) and

chromic oxide (Cr203)

.

Color

Dark brown

Structure _ Hexagonal, R3c (167), 2=6. The structure of

CrgOa was determined by Wretblad [1930]. The

structure of hematite (Fe203) was determined

by Davey [1923]

.

Lattice constants of this sample

a = 4.9965(6) A

c = 13.621(3)

c/a - 2.7261

Volume o 294.49

Density

(calculated) 5.233 g/cm^

Figure of merit

F20 = 51.0(0.014,29)

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

Internal standard Si , a 5.43088 A

0 d(A)

j.rel hk£ a = ±3

3.654 43 0 1 2 24 34

2.676 100 11 u 4 46

2.499 73 11

11 0 35 90

2 . 270 4 nu 6 39 67

2. 189 27 11 3 41 21

2 . 063 4 2 0 2 43 85

1 . 8268 33 0

0£. AH 4Q 88

1 .6801 66 1 1 6 54 58

1 .5896 •J 1 0 2 57 97

1.5849 6 u

1I 8 58 16

1 . 4738 23 2 1 4 63 02

1 . 4421 25 3 0 0 64 57

1 . 3380 1 2 0 8 70 30

1 . 2988 12 1 0 10 72 75 1.2488 6 2 2 0 76 17

1.2179 3 3 0 6 78 47

1.1794 2 1 2 8 81 56

1.1528 4 0 2 10 83 86

1.1319 7 1 3 4 85 77 1.0945 7 2 2 6 89 46

Reference intensity

I/I , = 2.11(8) corundum

References

Davey, W. P. (1923). Phys. Rev. 21, 716.

Wretblad, P. E. (1930). Z. Anorg. Chem. 189,

329.

24
Chromium Oxide, CrOs

Synonyms

1. Chromic acid anhydride

2. Chromium trioxide

CAS registry no. 1333-82-0

Sample

The sample was from J. T. Baker Chemical Co.,

Phillipsburg, NJ.

Color

Dark reddish brown.

Structure

Orthorhombic , Ama2 (40), Z = 4. The structure

of CrOs was studied by Brakken [1931] and

refined by Bystrom and Wilhelmi [1950].

Lattice constants of this sample

a = 5.7494(15) A

b = 8.556(2)

c = 4.7961(11)

a/b = 0.6720

c/b = 0.5606

Volume o 235.93 A3

Density

(calculated) 2.815 g/cm^

Figure of merit

F30 = 56.8(0.016,32)

Reference intensity

I/I , = 1.41(13) corundum

Additional pattern

1. PDF card 9-47 [Bystrom and Wilhelmi, 1950]

References

Brakken, H. (1931). Z. Kristallogr. Kristallgeometrie Kristallphys . Kristallchem. 78,

484.

Bystrom, A. and Wilhelmi, K.-A. (1950). Acta

Chem. Scand. , 4, 1131.

0 CuKOi \ = 1.540598 A ; temp

.

25±1 °C

Internal standard Si , a = 5

0 43088 A

d(A) jrel hk£ 2e(°)

0

4.279 1

Q

1 y 0 2 Q 20.74

4.186 0 1 1 21.21

3.435 100 1 2 0 25.92

3.383 64 1 1 1 26.32

2.874 *»t 2 0 u 31.09

2.454 4 0 3 1 36.59

2.398 1

7

0 0 A. 37.48

2.370 18 2 1 1 37.94

2.255 18 1 3 1 39.94

2.139 9 0 4 42.21

2.091 0 0 2 43.23

2.006 0 1 4 n 45.17

1.966 10 1 2 2 46.14

1.866 2 2 3 1 48.77

1.842 1; 2 0 9 49.43

1.749 10 3 2 0 52.26

1.743 11 3 1 1 52.44

1.7168 5 2 4 0 53.32

1.6921 3 2 2 2 54.16

1.6112 QJ 0 5

1X 57.12

1.5954 2 0 4 2 57.74

1.5706 ^•J 0 1 58.74

1.5512 1 1 5 1 59.55

1.5380 2 1 4 2 60.11

1.5159 4 1 1 3 61.08

1.5097 4 3 3 1 61.36

1.4366 6 4 0 0 64.85

1.4262 3 0 6 0 65.38

1.4124 4 3 2 2 66.10

1.4062 6 2 5 1 66.43

1.3956 3 2 4 2 67.00

1.3795 5 2 1 3 67.89

1.3555 6 1 3 3 69.26

1.2773 2 2 6 0 74.18

25
Cinchonine, 9H22N2O

Synonym

1. (9S)-Cinchonan-9-oJJ

CAS registry no. 118-10-5

Sample

The sample was obtained from the Eastman Kodak

Co., Rochester, N. Y. It was recrystallized

from ethanol.

Color

Colorless

Structure

Monoclinic, P2i/", 1-1. The unit cell and

space group were determined by Paretzkin [1956].

Lattice constants of this sample

a = 11.091(2) A

b = 7.200(3)

c = 10.774(2)

p = 107.95(2)°

a/b = 1.5404

c/b = 1.4964

Volume o 818.48 A^

Density

(calculated) 1.195 g/cm^

Figure of merit

F30 = 46.6(0.012,52)

Additional pattern

1. PDF card 7-526 [Paretzkin, Polytechnic

Institute of Brooklyn]

.

References

Paretzkin, B. (1956). Acta Crystallogr.

9, 290.

0 CuKai K = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5

0

/ 0 A 0 0 A 43088 A

0

J / A ^ d(A) _rel

I hk£ 2e(°) a = ±2

10 . 5j lOU 1 0 0

0 OA 8 . 39

Q 0/. - X 0 1

1 A AA XU . OU

C AO 2 1 0 1 TO T £ 13.70

5 . o98 10 0 1 1

1 C AT Xd . OX 5.583 1 -1 1 1 15.86

5.417 4 -2 0 1 16.35

5.301 20 -1 0 2 16.71

5 . 282 24 2 0 0 16 . 77

5 . 119 19 0 0 2 17 . 31

4.795 4 1 1 1 18.49

i -2 0 2 OA A/1 2U . Ub

I 0 0 T 4 . 327 5 -20

1 1 OA CI

/ OCT 4 . 2d 1 7 2 1 0 OA 00 20 . 08

4. 197 21 2 0 1 21 . 15 4.135 10 1 0 2 21.47

3 . 770 2 -2 1 2 23.58

3 . 623 10 2 1 1 24.55

3 . 586M 3 -1 0 3 24.81

3.585M 1 1 2

0 / 0-1 24.81

3.437 IL -3 0 2 25.90

3 . 409 IL 1 2 0

0 TO 2o . 12

J . 288 XL -3 1 1 0 "7 1 A 2 / . XO

3 . 2 1 3M 1

02 0 2

0"7 T /. 2/ . /'I 0 0 T OM 3 . 2 ijn X 1 3 07 "7/. 3.161 1 3 1 0 28.21

3 . 102 1 -3 1 2 00 *7£ 28 . 76

3 . 089 1 0 1 3 28 . 88

3 . 049 IL 3 0 1 29 . 27

2.936 2 2 1 2 30 . 42

2.809 2 3 1 1 31.83

Z. JiO 1 T IL /. 0 1 00 OQ j2 . 2y

2 . /ol 1 T IL 1 1 3 J2 . tfU 2 . 726 IL -i 1 3 00 Q 0 J2 . oj

2 . /U8 XL ~H 0 2 2.687 1 -1 0 4 33.32

2.638 IL 4 0 0 33.96

2.556 1 3 0 2 35 . 08

2.541 1 -

1

2 3

0 C OA 35 . 29

2.534M 1 -4 1 2

0 C OA 35 . 39

2 . 534M 02 0 3

0 C OQ

2.480 IL 0 2 3 36.19

2 . 464M IL -2 2 3 36.43

2.464M -3 0 4 36.43

2.408 1 3 1 2 37.31

2.388 IL 2 1 3 37.63

26
Cinchonine, Ci9H22N20 - (continued)

o d(A) a = ±2

2e(°)

2.328 IL 3 2 1 38.64

2.279 IL -3 2 3 39.51

2.263 IL 4 1 1 39.81

2.218 IL 1 1 4 40.65

2.208 IL -4 0 4 40.83

2.165 IL -4 2 2 41.69

2.140 IL -1 0 5 42.19

2.111+ 1 5 0 0 42.80

2.111+ -5 0 3 42.80

2.082 IL 2 3 1 43.43

2.069M IL -3 0 5 43.72

2.069M 2 0 4 43.72

2.051+ IL -1 1 5 44.12

2.051+ 0 0 5 44.12

2.024M IL 5 1 0 44.74

2.024M -5 1 3 44.74

2.012M IL 4 1 2 45.02

2.012M -3 3 1 45.02

1.9898 IL -3 1 5 45.55

1.9570M IL -2 3 3 46.36

1.9570M 1 2 4 46.36

1.9514M IL 5 0 1 46.50

1.9514M -5 0 4 46.50

1.8846M IL 5 1 1 48.25

1.8846M -4 2

/ 48.25

1.8795M IL -5 2 1 48.39

11 . ft7QSM o / yjii J 2 2 Aft '^Q 1.8389 IL -1 2 5 49.53

1.8115 IL 4 2 2 50.33

1.8065 IL -6 0 3 50.48

1.7932 IL 2 2 4 50.88

27
Clopenthixol Hydrate, C22H25C1N20S'2H20

Synonym

1 . 4- (3-(2-Chlorothioxanthen-9-ylidene)propyl]

-1-piperazineethanol dihydrate

Sample

The sample was supplied by J. Rodgers, University of Adelaide, Adelaide, South Australia.

Chemical analysis gave weight percents indicating that the dihydrate is the most probable

formula

.

Color

Colorless

Structure

Triclinic, P^', Z = 2. The unit cell was measured on a single crystal diff ractometer by

V. Himes at NBS (priv. comm.). The value of

Z was assumed from the measured density.

Lattice constants of this sample

a = 7.773(3) A

b = 21.939(11)

c = 6.518(4)

a = 91.60(5)°

^ = 93.06(4)

Y = 90.06(4)

a/b

c/b

0.3543

0.2971

Volume o 1110. A^

Density

(calculated) 1.308 g/cm^

(measured) 1.34 g/cm^

Figure of merit

F30 = 23.0(0.016,80)

Reference intensity

I/I corundum

= 1.01(5)

Polymorphism

The form described here is the inactive isomer

having no neuroleptic activity. An active

isomer also exists.

0 CuKoii \ = 1. 540598 A; temp. 25±1 °C

Internal standard Ag, a = 4 08651 A

0 d(A) jrel hk£ 2e(°)

0 = ±6

22.02 100 0 1 0 4.01

11.00 15 0 2 0 8.03

7.32+ 38 -1 1 0 12.08

7.32+ 1 1 0 12.08

6.29 39 0 -1 1 14.07

5.65 11 0 -2 1 15.66

5.48 4 0 4 0 16.15

5.34 16 -1 3 0 16.59

5.122 7 -1 0 1 17.30

5.012 13 -1 -1 1 17.68

4.792 43 0 3 1 18.50

4.721 33 1 1 1 18.78

4.609 55 -1 2 1 19.24

4.405 3 1 2 1 20.14

4.243 12 -1 -3 1 20.92

4.135 4 0 4 1 21.47

3.882 20 2 0 0 22.89

3.824+ 18 -2 1 0 23.24

3.824+ -1 5 0 23.24

3.703 12 -1 4 1 24.01

3.658+ 45 -2 2 0 24.31

3.658+ 2 2 0 24.31

3.597 7 1 4 1 24.73

3.431 32 -2 3 0 25.95

3.371M 44 -2 1 1 26.42

3.371M -1 -5 1 26.42

3.294 17 1 -5 1 27.05

3.269 21 -2 -2 1 27.26

3.248M 19 0 0 2 27.44

3.248M -2 2 1 27.44

3.221M 15 0 -6 1 27.67

3.221M 1 5 1 27.67

3.167M 11 -2 4 0 28.15

3.167M 2 4 0 28.15

3.136M 10 2 -2 1 28.44

3.136M 0 7 0 28.44

3.094 4 0 2 2 28.83

2.993 8 2 -3 1 29.83

2.960 6 2 3 1 30.17

2.941M 5 1 0 2 30.37

2.941M 0 3 2 30.37

2.795M 4 -1 3 2 32.00

2.795M 0 7 1 32.00

2.780 3 2 4 1 32.17

2.740 1 0 8 0 32.66

28
Clopenthixol Hydrate, C22H25C1N20S'2H20 - (continued)

o d(A)

rel a = ±6

2e(°)

2.678 -2 5 1 33.43

2.643 3 -1 4 2 33.89

2.516 1 3 2 0 35.66

2.449M 1 2 -6 1 36.66

2.449M -3 0 1 36.66

2 . 440+ 1 -3 3 0 36.81

2.440+ -2 7 0 36.81

2.317M 5 -1 6 2 38.84

2.317M -3 3 1 38.84

2.299M 5 -2 4 2 39.15

2.299M 3 2 1 39.15

2.237 4 2 8 0 40.29

29
Copper Hydroxide Phosphate (Libethenite), Cu2(0H)P04

Synonym

1 . Copper phosphate hydrate

CAS registry no. 1318-84-9

Sample

The sample was prepared at NBS by D. Misra by

reaction of hydroxyapatite with Cu(N03)2

solution. The material was dried at 55 °C.

Color

Light yellow green

Structure

Ortho rhombic, Pnnm (58), Z = 4. The

lattice constants of libethenite were determined by Strunz [1936]. The

structure was determined by Heritsch

[1940]

.

Lattice constants of this sample

a = 8.0678(10) A

b = 8.4100(15)

c = 5.8896(7)

a/b

c/b

0.9593

0.7003

Volume o 399.61 A^

Density

(calculated) 3.974 g/cm^

Figure of merit

F30 = 53.6(0.012,45)

Reference intensity

I/I , = 1.13(4) corundum

Additional patterns

1. PDF card 8-107 [Strunz, 1936]

2. PPF card 1-274 [Hanawalt et al., 1938]

References

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

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

10, 457.

Heritsch, H. (1940). Z. Kristallogr.

Kristallogeometrie Kristallphys . Kristallchem. 102, 1. Strunz, H. (1936). Z. Kristallogr.

Kristallgeometrie Kristallphys.

Kristallchem. 94, 63.

CuKOi X = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a =- 4 08651 A

0 A f \ \ ^rel

I alUX. 2o( ) a = ±3

3 . is i J 93 1 1 AU 1 J . Z J

/. ft 1 ft 100 0 1 1 10 . 4U

A IKl H . / J 1 08 1 A

U

1 Itt . 00

4.137 6 1 1 1 21.46

3.729 42 1 2 0 23.84

J . bio 15 2 1 U

0 /. / C Z4

.

18 0 u

0z OA 00 o\j . oZ

z . y iz 72 2 z

A

u OA Aft jU . DO

2.647 43 1 3 0 33.84

2.627 61 1 1 2 34.10

0 ^ 1 n z . 0 lU 19 2

0z 1 0/1 0 0 Z . DO 1 25 3 1 AU 0^ Al

0 COO Z . DoZ 10 0 J 1

oc; /. 0 2.A46 11 3 0 1 36.71

2.414M 26 1 3 1 37.21

0 /. 1 AM 0 z z J / . Z 1 0 0 "7 "7 Z.J// 21 2 u

0zQ "7 0 1 J / . 0 1 0 0 /. 0 10 3 1 1 JO . JU 2.312 21 1 2 2 38.93

2.288 4 2 1 2 39.34

0 0 A"^ Z . ZOJ 3 3

0zAU oyOQ . 77/ / 0 A7

1

Z . U / i 6 2

0z0z AO A7

Z . U 1 / 1 A

u

A

u

AHHA 01 . y i 1.9682 3 1 3 2 46.08

1.9411 3 3 3 0 46.76

1 . y jzo 6 3 i 0Z

AHOA Oft

. y 0

1 Q 0 Q 7 6 1 i HA 7 01 / . Z i

1 0 A"7 "7 1 . y u / / 5 1 AU

0 A7H / . 00

1.8607M 5 4 1 1 48.91

1.8607M 1 1 3 48.91

1 ft 1 OA 2 4 z

AU RA AQ

1 ft 1 OQ 2 2

0J

0z jURA . ZOOA

1 . /yDD 2 3

0z z

c; A ft 1 OU . 0 i 1.7370M 2 4 2 1 52.65

1.7370M 1 2 3 52.65

1 Till 1 . /Ill 11 0 z 00^0 ^^ . 0

1

1 A ^ /. 0

7 4

A

u

0z 00 . iH

1 . D'tOZ 3 1

CJ A

u Do ftA . ou 1.6330 2 4 1 2 56.29

1 .6277 3 2 2 3 56.49

1.6201 10 3 3 2 56.78

1.5951 4 3 4 1 57.75

1.5849+ 9 3 0 3 58.16

1.5849+ 5 1 0 58.16

1.5767M 7 4 3 1 58.49

30
Copper Hydroxide Phosphate (Libethenite) , Cu2(0H)P04 - (continued)

o j.rel

a = ±3

hk£ 2e(°)

1 . 5767M 3 3 58 49

4 3 1 3 59 22

1.5472 9 4 2 2 59 72

1 .5302 3 5 1 1 60 45

1.5063 3 5 2 0 61 51

1.4724 7 0 0 4 63 09

1.4554 6 4 4 0 63 91

1.4276 3 1 1 4 65 31

31
p-L-Glutamic Acid, C5H9NO4

Synonyms

1. p-L-glutaminic acid

2. p-L-2-aminopentanedioic acid

CAS registry no. 56-86-0

Sample

The sample was obtained from Sigma Chemical

Co. , St. Louis, MO.

Color

Colorless

Structure

Orthorhombic, P2i2i2i (19), 2=8. The structure was determined by Hirokawa [1955].

Lattice constants of this sample

a = 6.9651(15) A

b = 17.308(3)

c = 5.1690(14)

a/b - 0.402A

c/b = 0.2986

Volume o 623.12 A^

Density

(calculated) 1.568 g/cm^

Figure of merit

F30 = 48.3(0.016,39)

Reference intensity

I/I , = 0.65(3) corundum

Polymorphism

There is also an orthorhombic a-form found

by Bernal [1931] .

References

Bernal, J. D. (1931). Z. Kristallogr. Kristallgeometrie Kristallphys . Kristallchem . 78,

363.

Hirokawa, S. (1955). Acta Crystallogr. 8,

637.

CuKoj A. = 1.540598 A; temp. 25±1 °C

o Internal standard Si, a = 5.43088 A

° rpl

d(A) I hkZ 2e(°) a = ±3

8 65 34 0 2 0 10 22

6 46 10 1 1 0 13 69

4 960 9 0 1 1 17 87

4 445M 28 1 3 0 19 96

4 445M 0 2 1 19 96

4 323 40 0 4 0 20 53

4 155 100 1 0 1 21 37

4 042 75 1 1 1 21 97

3 854 13 0 3 1 23 06

3 746 24 1 2 1 23 73

3 678 10 1 4 0 24 18

3 482 64 2 0 0 25 56

3 415 43 2 1 0 26 07

3 372 6 1 3 1 26 41

3 320 3 0 4 1 26 83

3 232 18 2 2 0 27 58

3 101 10 1 5 0 28 77

2 983 26 2 3 0 29 93

2 887M 70 2 0 1 30 95

2 887M 0 6 0 30 95

2 849 12 2 1 1 31 37

2 741 6 2 2 1 32 64

2 712 12 2 4 0 33 00

2 664 31 1 6 0 33 62

2 583M 12 0 0 2 34 70

2 583M 2 3 1 34 70

2 520 29 0 6 1 35 60

2 475 8 0 2 2 36 27

2 455 4 2 5 0 36 57

2 402 3 2 4 1 37 41

2 398 3 1 1 2 37 47

2 367 12 1 6 1 37 99

2 .358 5 0 3 2 38 13

2 330 8 1 7 0 38 61

2 303 2 3 1 0 39 .09

2 .231 14 0 7 1 40 39

2 .154 5 3 3 0 41 .91

2 .125 6 1 7 1 42 .50

2 .102 8 3 1 1 42 .99

2 .057 6 3 2 1 43 .98

32
p -L-Glutamic Acid, C5H9NO4 - (continued)

0 d(A)

j.rel

0 = ±3

2e(°)

2.040 8 2 6 1 44.38

0 01 7M 8 2 2 2 44. 91

2 . 017M 2 7 0 44.91

1 .995 3 0 8 1 45 . 43

1 .988 4 3 3 45 . 59

1.953 2 2 3 2 46.47

1 Q9A J n u

0 / . X 7

1 Q1

Q

1 . 7 1

J

]^ 8 \ UlH / . JZ. 'K') A <1 4 \ Ll 7Q

11.0/0 S7ft A 0 7 11 48 . 44

1.855M 5 1 6 2 49.07

1 .855M 1 9 0 49 . 07

1 . 838 1 2 8 0 49 .55

1 . 806 3 5 1 50 . 50

1 . 803 0 9 50.59

1.744 3 1 9 1 52.42

1 • /

•>J

A 11 •^9 77

1 79Q c 1X 7 9£. JS9^ . QOy u

11 . 7/ 110R A•* 1 9 JO . zo

•5 •5 u

1X J 0 . uo

1.706M 4 2 0 53.68

1 .6921 2 3 7 0 54. 16

1 68^8M 3 2 6 2 54.45

1 68'^8M 2 9 0 54.45

1 . 6640 3 J J . X J

1.6588 3 0 8 2 55.34

n\j 3 •3

4 1X 1 . 6421+ 4 4 55 . 95

1 . 6421+ 2 3 55 . 95

1.5982 3 1 10 1 57.63

1 .5864 2 4 3 58 . 10

1.5425M 2 0 9 2 59.92

1 .5425M 0 5 3 59 .92

1.5211 2 2 2 3 60.85

1.5055M 1 1 5 3 61.55

1.5055M 0 11 1 61.55

33
Glycine, 0C-C2H5NO2

Synonym

1. a-Aminoacetic acid

CAS registry no. 56-40-6

Sample

The sample from Fisher Scientific Co.,

Fair Lawn, NJ. was recrystallized from

a mixture of water and methanol to which

a small amount of ether was added.

Color

Colorless

Structure

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

was determined by Albrecht and Corey [1939]

and refined by Marsh [1957].

Lattice constants of this sample

a = 5.4621(12) A

b = 11.966(3)

c = 5.1077(11)

P = 111.72(2)°

a/b = 0.4565

c/b = 0.4269

Volume o 310.14 A^

Density

(calculated) -.608 g/cm^

Figure of merit

F30 = 40.5 (0.014,51)

Reference intensity

I/I , = 4.6(3) corundum

Polymorphism

oc-glycine, the most stable form, is obtained

from water at room temperature and below,

while p- and ^-glycine are obtained (together

with ^-glycine) from mixtures of water with

acetic acid at higher temperatures [Hubig,

1958]

.

Additional pattern

1. PDF card 7-718 [Hanawalt et al., 1938]

References

Albrecht, G. and Corey, R. B. (1939). J. Am. Chem. Soc. 61, 1087.

Hanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Hubig, W. Z. (1958). Z. Naturforsch. B13, 633.

Marsh, R. E. (1957). Acta Crystallogr. 10, 814

0 CuKUi \ = 1.540598 A; temp 25±1 "C

Internal standard w, a = 3.

0 16524 A

0 d(A)

jrei hk£ 2e(°) a = ±2

5.98 9 0 2 0 14.80

4.670 9 1 1 0 18.99

4.410 4 0 1 1 20.12

3.874 IL 1 2 22.94

"5 7 1 Q 1 C Au 2

3.523 IL -1 2 1 25.26

3.134 6 1 3 28.46

3.053 10 0 3 1 29.23

2.990 100 0 4 29.86

9 R7

A

i . 0 /

1

1

11 1 1 no

2.654 11 1 2 1 33.75

2.532 7 0 4 1 35.42

2.481 2 2 1 0 36.18

2.453 4 -2 2 1 36.60

111 A\J 0 2 ^701.01ft7

2.336 1 2 2 0 38.50

2.327 1 0 1 2 38.67

2.229 IL -2 3 1 40.43

2.205 1 0 2 2 40.90

Z . iOD 1

11 5 0

2.143M 1 -1 3 2 42.14

2.143M 2 3 0 42.14

2. 105 1 1 4 1 42.94

2.051 11 -2 2 2 44.13

11 nu 3 2 44. 40

2.000 1 -2 4 1 45.30

1.994 1 0 6 0 45.46

1.935M 1 -1 4 2 46.91

1.935M 2 4 0 46.91

I .y ID I _o 3 2

1.874 11 1 1 2 48.54

1.859M IL 2 2 1 48.97

1.859M 0 4 2 48.97

1.839 IL 0 6 1 49.54

1 . QUO ITllj 11 2 2 50.43

1.7998 IL -3 1 1 50.68

1.7886 IL -2 5 1 51.02

1.7566 IL 2 3 1 52.02

1.7422M IL -1 5 2 52.48

1.7422M -3 2 1 52.48

1.7129 IL 1 3 2 53.45

1.6988 IL -1 0 3 53.93

1.6821 IL -1 1 3 54.51

1.6557 IL -3 3 1 55.45

34
Guam' dini urn Chloride, CHgNa-HCl

Synonym

1. Guanidine Hydrochloride

CAS registry no. 50-01-1

Sample

The sample was obtained from Mallinckrodt Chemical Works, St. Louis, MO.

Color

Colorless

Structure

Orthorhombic , Pbca(6l), Z = 8. The structure

was determined by Haas et al . [1965].

Lattice constants of this sample

a = 9.192(2) A

b = 13.037(4)

c = 7.774(2)

a/b = 0.7051

c/b = 0.5963

Volume o 963.6 A^

Density

(calculated) 1.362 g/cm^

Figure of merit

F36 = 36.0(0.015,55)

Reference intensity

I/I , = 0.77(2) corundum

Additional pattern

1. PDF card 3-387 [Theilacker, 1931).

References

Haas, D. J., Harris, D. R. , and Mills, H. H. (1965). Acta Crystallogr. 19, 309.

Theilacker, W. (1931). Z. Kristallogr. Kristallgeometrie Kristallphys . Kristallchem.

76, 203.

0 CuKOi \ = 1.540598 A; temp. 25±1 °C

Internal standard W, a = 3 16524 A

0 d(A) jrel hk£ 26(«')

(J — i i

4. 996 3 0 2 1 17.74

4. 591 13 2 0 0 19.32

4. RR00 11 0 11 20.23

4. 329 16 2

11 n\j 20 . 50

3

.

884 9 0

0 22 . 88

3. 787 46 2 1 1 23.47

3

.

583 50 1 0 2 24.83

3 LL9. 1 \ 2 25 . 82

3 381 54 2

o 11 26.34

3 258 29 0 4 27 . 35

2 968 100 2 0 2 30.08

2 927 12 2 3 1 30.52

2 0 J H

0 11 0 30.87

2 783 31 3

1

i. J. 32. 14

2 763 41 1 XJ

0 32 . 38

2 659 75 2 4 0 33.68

2 497 35 0 4 2

2 '+4711 9 9 36.66

2 449M 1 1

-3J 36.66

2 407M 11 0 9

-3 37 . 33

2 407M 3 0 2 37.33

2 384 6 3 3 1 37 . 70

2 £. 1 9 37 .97

2 297 13 4

nw 39 . 18

2 264 5 4

11 39 . 78

2 223 2 2 1 3 40.54

2 195 9 2 4 2 41 .08

2 1 7'^M /. A 11

11 41 .52

2 173M 0 U u 41 .52

2 164 4 1 QJ

•3 41 . 70

2 134 3 2 2 3 42.31

2 106M 11 1 5 2 42.91

2 .J Q 9 42.91

2 088 9 4

0 11 43 . 29

2 040 4 1 u

11 44.36

2 .032 1 4 3 0 44.56

1 .978 3 4 0 2 45.85

1 .966M 5 4 3 1 46. 14

1 .966M 2 6 0 46. 14

1 .959 7 2 5 2 46.32

1 .957M 5 3 1 3 46.37

1 .957M 4 1 2 46.37

1 . 902 6 1 0 4 47.79

1 .894M 6 3 2 3 47.99

1 .894M 4 2 2 47.99

35
Guanidinium Chloride, CHsNs'HCl - (continued)

o d(A) jrei r-Al

a = ±1

hk£ 2e(°)

1 OO 1 0o 11

11 A* Aft **o . T\JJ

1X o\j 1 in J•aoQ

11 ftni ou 1 1Min AH'iD

O£. JUSO • fiA OH

1 7683 2 3 5 2 51.65

1 7422 7 1 3 4 52.48

1 7279 5 3 6 1 52.95

1 7046 5 4 1 3 53.73

1 6909M 6 3 4 3 54.20

1 6909M 4 4 2 54.20

36
Hexamethylenetetramine, C6H12N4

Synonym

1. 1,3,5,7-tetraazatricyclo [3.3. 1 . 1^' -decane

2 . Methenamine

CAS registry no. 100-97-0

Sample

The sample was obtained from Fisher

Scientific Co., Fair Lawn, NJ. It was recrystallized from ethanol. There

was one line at d = 3.152 with an intensity

of 1 that was not accounted for.

Color

Colorless

Structure

Cubic, I43m (217), Z = 2. The structure

was determined quantitatively by Becka and

Cruickshank [1963].

Lattice constant of this sample

a = 7.0287(3) A

Volume o 347.24 A^

Density

(calculated) 1.341 g/cm^

Figure of merit

F22 = 74.3(0.010,29)

Reference intensity

I/I , = 3.84(10) corundum

Additional pattern

1. PDF card 3-135 [Dow Chemical Co.,

Midland, MI]

0 CuKa^ \ = 1.540598 A;** > temp. 25±1 °C

Internal standard w. a = 3 16524 A

d(A) jrelhkJ^ 26(°) a = ±1

4.968 100 1 1 0 17.84

3.517 4 2 0 0 25.30

2.870 14 2 1 1 31.14

2.485 2 2 2 0 36. 12 2.224 IL 3 1 0 40.53

2.0291 6 2 2 2 44.62

1.8784 4 3 2 1 48.42

1.6560 IL 4 1 1 55.44

1.5713 IL 4 2 0 58.71

1.4984 1 3 3 2 61.87

1.4346 IL 4 2 2 64.95

1.3786 1 5 1 0 67.94

1.2832 IL 5 2 1 73.78

1 . 2424 1 4 4 0 76.63

1.2057 IL 5 3 0 79.42

1.1715 IL 6 0 0 82.22

1.1404 IL 6 1 1 84.98

1.0845 IL 5 4 1 90.52

1 .0595 IL 6 2 2 93.28

1.0362 IL 6 3 1 96.04

.9565 IL 7 2 1 107.29

.8927 IL 7 3 2 119.29

Reference

Becka, L. N. and Cruickshank, D. W. J. (1963). Proc. Roy. Soc. Ser. A 273 , 435.

37
Hydrazinium Sulfate, (NH3)2S04

Synonyms

1. Hydrazine sulfate

2. Hydrazonium sulfate

CAS registry no. 10034-93-2

Sample

Hydrazinium sulfate was obtained from

Fisher Scientific Co., Fair Lawn, NJ. It was recrystallized from water. The

x-ray pattern was run in a humid

atmosphere

.

Color . , Colorless

Structure

Orthorhombic, P2i2i2i (19), Z = 4. The

structure was determined by Nitta et al.

[1951] and refined by Jonsson and Hamilton

[1970] .

Lattice constants of this sample

a = 8.2579(14) A

b = 9.178(2)

c = 5.5386(11)

a/b = 0.8997

c/b = 0.6035

Volume o 419.78 A^

Density

(calculated) 2.059 g/cm^

Figure of merit

F30 = 57.4 (0.013,41)

Reference intensity

I/I . = 1.47(8) corundum

Additional pattern

1. PDF card 4-375 (Inst, of Physics, Univ.

College, Cardiff, Wales)

References

Jonsson, P. G. and Hamilton, W. C. (1970).

Acta Crystallogr. B26, 536.

Nitta, I., Sakurai, K. , and Tomiie, Y. (1951),

Acta Crystallogr. 4, 289.

CuKOi A = 1.540598 A; temp. 25±1 °C

T n 1" PTD ri 1 standard Ag, a 4 0R6S1 A

0 j.rel hk£ 10 V. ) 0 = ±5

6.15 10 1 0 14.39

4.602 46 11 0 1 19.27

4. 130 100 2 0 0 21.50

4.015 20 1 2 0 22.12

3. 768 10 2 1 0 23.59

3.534 62 0 2 1 25.18

3.312 1 2 0 1 26.90

3.250 47 1 2 1 27.42

3.116 43 2 1 1 28.62

3. 071 19 2 2 0 29 . 05

2.769 12 0 0 2 32.30

2.685 2 2 1 33.34

2.650 6 0 1 2 33.80

2.636 8 3 1 0 33.98

2 . 625 9 1 0 2 34. 13

2.546 4 3 1 35.22

2.525 10 1 2 35.53

2.458 6 2 3 0 36.53

2.381 7 3 1 1 37.75

2 . 361 4

3

2 0 38 . 09

2.295 -3J n\j 4 0 39.22

2.280 4 \ 2 2 39.50

2.246 2 2 3 1 40.11

2.232 9 2 1 2 40.38

2.211 13 4 0 40 . 78

2.172 3 3 2 1 41.54

2.119 1 0 4 1 42.63

2.052M 2 1 4 1 44.09

2.052M 0 3 2 44.09

2 . 047 2 3 0 44. 20

2.013 4 4 1 0 44.99

1.993 1X 3 2 45.47

1.953 9 J 0 2 46.46

1.9100 14 3 1 2 47.57

1.8924 3 4 1 1 48.04

1.8850 6 2 4 1 48.24

1.8382 2 2 3 2 49.55

1.7955 1 3 2 2 50.81

1.7916 1 1 5 0 50.93

1.7824 2 4 2 1 51.21

1 7676M 5 1 1 3 51 67

1 7676M 0 4 2 51 67

1 7622 7 3 4 0 51 84

1 7114 2 4 3 0 53 50

1 6849 2 2 0 3 54 41

38
Hydrazinium Sulfate, (NH3)2S04 - (continued)

o d(A)

jrel

CT - XD

hk£ 2e(°)

1.6778M 2 2 5 0 54 66

1.6778M 1 2 3 54 66

1.6579 3 2 1 3 55 37

1.6451 1 3 3 2 55 84

1.6346 3 4 3 1 56 23

1.5821M 2 5 0 1 58 27

1.5821M 2 2 3 58 27

1.5595 3 5 1 1 59 20

39
Iron Chloride Hydrate (Hydromolysite) , FeCl3-6H20

Synonym

1 . Ferric chloride hexahydrate

CAS registry no. 10025-77-1

Sample

The sample was obtained from Fisher Scientific

Co., Fair Lawn, NJ. It was somewhat hygroscopic.

Color

Deep orange yellow

Structure

Monoclinic, C2/m (12), Z = 2. The

structure of FeCl3*6H20 was determined

by Lind [1961]

.

Lattice constants of this sample

a = 11.834(3) A

b = 7.029(2)

c = 5.9524(13)

p = 100.47(2)°

a/b = 1.6836

c/b = 0.8468

Volume o 486.8 A^

Density

(calculated) 1.844 g/cm^

Figure of merit

F30 = 41.4(0.015,47)

Additional pattern

1. PDF card 1-153 [Hanawalt et al., 1938]

References

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

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

457.

Lind, M. D. (1967). J. Chem. Phys . 47, 990.

CuKfli K = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a =: 4 08651 A

d(A)

jrel hk£ 2e(°) a = ±2

6 . 03 14 1 1 0 14. 69

5 . 866 82 0 0 1 15 .09 5.824 100 2 0 0 15.20

4.565 3 -2 0 1 19.43

4.412 5 -1 1 1 20 . 11

4.015 4 1 1 1 22 . 12 3.516 4 0 2 0 25 .31 3.163 15 -3 1 1 28.19

3.015 2 0 2 1 29.61

2.927 3 0 0 2 30.52

2 . 909 5 4 0 0 30 . 71 2.818 2 -4 0 1 31 . 73

2.782 4 -2 2 1 32.15

2.754 7 3 1 1 32.49

2.736 3 -1 1 2 32.70

2.580 5 2 2 1 34. 74

2.540 3 1 1 2 35.31

2.442 13 2 0 2 36.77

2.280 IL -4 0 2 39.50

2.242 1 4 2 0 40. 19

2 . 203 3 -2 2 2

• 40 . 93

2 . 199 4 -4 2 1 41 . 02

2.165 1 -1 3 1 41.69

2.060 2 3 1 2 43.92

2 . 004M 2 2 2 2 45 . 20

2 . 004M 3 3 0

/ C OA 45 . 20

2.001 2 4 2 1 45 . 28

1.958 5 5 1 1 46.33

1.954 5 -3 3 1 46.44

1.939 3 6 0 0 46.81

1.9096 3 -1 1 3 47.58

1.8979 4 4 0 2 47.89

1.8445 IL 3 3 1 49.37

1.8065 3 1 1 3 50.48

1.7721 2 -6 0 2 51.53

1 7559 1 2 0 3 52 04

1 7117 IL -2 2 3 53 49

1 7058M 1 0 2 3 53 69

1 7058M -6 2 1 53 69

1 6982 3 6 2 0 53 95

1 6815 IL 2 4 0 54 53

1 6702 1 4 2 2 54 93

40
Iron Fluoride Hydrate, p-FeF3-3H20

Synonym

1. Ferric trifluoride trihydrate

Sample

The sample was obtained from City Chemical

Corp. , New York, NY.

Color

Blue gray.

Structure

Tetragonal, P4/n (85), Z = 2. The structure

was determined by Teufer [1964].

Lattice constants of this sample

a = 7.8326(5) A

c = 3.8773(3)

c/a = 0.4950

Volume o 237.87

Density

(calculated) 2.330 g/cm^

Figure of merit

F30 = 80.9(0.010,36)

Reference intensity

^''^corundum 2.00(4)

Polymorphism

Nielsen [1940] reported another form of

FeF3*3H20 which was colorless and was made by crystallization at a lower temperature than the form studied here.

Additional pattern

1. PDF card 1-202 [Hanawalt et al., 1938]

References

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

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

10, 457.

Nielsen, A. H. (1940). Z. Anorg. Allgem.

Chem. , 244, 85.

Teufer, G. (1964). Acta Crystallogr.

17, 1480.

0 CuKOi \ = 1.540598 A; temp

.

25±1 °C

Internal standard W, a = 3

0 16524 A

0 d(A) J

L c ± hk£ 2e(°

a = ±2

5.542 100 1 1 0 15.98

3.917 54 2 0 0 22.68

3.879 14 0 0 1 22.91

3.476 49 1 0 1 25.61

177 Z3 i 1 1 9R Oft

2.769 28 2 2 0 32.30

2.600 10 2 1 1 34.47

2.475 31 3 1 0 36.27

2.253 1 2 2 1 39.99

, 1 ouz. 1 T Xlj J 0 1 H 1 . UO

2.0861 14 3 1 1 43.34

1.9586 11 4 0 0 46.32

1.8950 13 3 2 1 kl .91 1.8817 24 1 0 2 48.33

1 . OHOO 0

QJ 3 0 AQ 1 . J 1

1.8295 3 1 1 2 49.80

1.7512 26 4 2 0 52. 19 1.7061 8 4 1 1 53.68

1 .6961 9 2 1 2 54.02

I . 00 /

H

QJ 3 1

1.5962 3 4 2 1 57.71

1.5569 2 3 0 2 59.31

1.5357 5 5 1 0 60.21

1.5268 2 3 1 2 60.60

aJA 3 1 OH . UU

1 .4468 9 3 2 2 64.34

1.4280 3 5 1 1 65.29

1.3849 1 4 4 0 67.59

1 .3620 4 5 2 1 68.88

11 . J J^ 70/ W

00A

1 2

1.3430 2 5 3 0 70.00

1.3370 1 3 3 2 70.36

1 .2920 1 0 0 3 73.20

1.2691 1 5 3 1 Ik.lk

1 T 11 1 3 1 0 . '-r 1

1.2385 3 6 2 0 76.92

1.2275 IL 2 0 3 11 .lU

1.2220 1 6 1 1 78.15

1.2185 4 4 3 2 78.42

1 .2036 2 5 1 2 79.58

1. 1712 1 2 2 3 82.25

1.1635 4 5 2 2 82.91

1.1459 1 3 1 3 84.48

41
Lanthanum Nickel Platinum, LaNio_25Pt4_75

Sample

The sample was prepared at NBS by Weismau

et al. [1975].

Color

Metallic gray

Structure

Hexagonal, P6/mmm (191), Z = 1. This phase has

the CaCus type structure. The structure of

CaCus was determined by Haucke [1940].

Lattice constants of this sample

a = 5.3732(5) A

c = 4.3574(7)

c/a = 0.8110

Volume o 108.95 A

Density

(calculated) 15.465 g/cm^

Figure of merit

F20 = 69.7(0.011,26)

References

Haucke, W. (1940). Z. Anorg. Allg. Chem.

244 , 17. Weisman, I. D., Bennett, L. H. , McAlister, A. and Watson, R. E. (1975). Phys . Rev. B n.

0 CuKOi \ = 1.540598 A temp

.

25±1 °C

Internal standard W a =- 3

0 16524 A

d(A) -j-rel hkl 2e(°) a = ±4

4 655 36 1 0 0 19.05

3 182 10 1 0 1 28.02

2 685 18 1 1 0 33.34

2 327 40 2 u U 38.66

2 287 100 1 1 1 39.37

2 179 32 0 0 2 41.40

2 0532 54 2 0 1 44.07

1 9730 9 1 0 2 45.96

1 7591 5 2 1 \j 51.94

1 6924 7 1 1 2 54.15

1 6312 2 2 1 1 56.36

1 5901 15 2 0 2 57.95

1 5512 4 3 0 0 59.55

1 4608 21 3 0 1 63.65

1 3687 4 2 1 2 68.50

1 3436 13 2 2 0 69.96

1 2774 8 1 1 3 74.17

1 2633 3 3 0 2 75.14

1 2323 6 2 0 3 77.38

1 1632 5 4 0 0 82.94

42
Lead Bromide, PbBrg

CAS registry no. 10031-22-8

Sample

The sample originally obtained from National

Lead Co. was used. These data replace a very

early pattern [Swanson and Fuyat, 1953]. The new measurements have better resolution, improved intensities, and refined lattice parameters .

Major impurities

Spectrographic analysis showed 0.001 to 0.01%

iron and 0.0001 to 0.001% each Ag, Al, Cu, Mg,

and Si

.

Color

Colorless

Structure

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

with PbClg (Brakken and Harang, 1928]. The

structure was determined by McBride [1967].

Lattice constants of this sample

a = 8.062(1) A

b = 9.5393(13)

c = 4.7348(6)

a/b = 0.8452

c/b = 0.4964

Volume o 364.1 A3

Density

(calculated) 6.695 g/cm^

Figure of merit

F30 = 78.8(0.014,38)

Reference intensity

I/I corundum 1.83(11)

Additional patterns

1. PDF card 5-608 [Swanson and Fuyat, 1953]

2. Brakken and Harang [1928]

3. Doll and Klemm [1939]

4. Hanawalt, Rinn, and Frevel [1938]

References

Brakken, H. and Harang, L. (1928). Z. Kristallogr. Kristallgeometrie Kristallphys.

Kristallchem. 68, 123.

Doll, W. and Klemm, W. (1939). Z. Anorg, Allg.

Chem. 241, 239.

Hanawalt, J. D., Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

McBride, H. D. (1967). Diss. Abstr. B27, 3891.

Swanson, H. E. and Fuyat, R. K. (1953). Nat.

Bur. Stand. U.S. Circ. 539, 2, 47.

0 CuKUj \ = 1.540598 A; temp

.

25±1 °C

Internal standard W, a = 3

.

0 16524 A

0 d(A)

rel

I hk£ 2e(°)

0 = ±4

6

.

16 1 1 0 14. 37

4. 774 30 0 2 0 18. 57

4. 239 19 0 1 1 20. 94

4. 105 56 2 0 21

.

63

4. 032 31 2 0 0 22. 03

3. 751 73 1 1 1 23. 70

3. 711 8 2 1 0 23. 96

3. 102 50 1 2 1 28. 76

3 081 55 2 2 0 28. 96

3 071 56 2 0 1 29 05

2 958 23 1 3 0 30 19

2 924 100 2 1 1 30 55

2 641 90 0 3 1 33 92

2 586 10 3 1 0 34 66

2 580 9 2 2 1 34 74

2 509 8 1 3 1 35 76

2 495 15 2 3 0 35 97

2 385 28 0 4 0 37 69

2 367 45 0 0 2 37 98

2 341 38 3 2 0 38 42

2 286 14 1 4 0 39 38

2 271 42 3 1 1 39 66

2 208M 55 2 3 1 40 83

2 208M 1 ] 2 40 83

2 122 5 0 2 2 42 58

2 099 4 3 2 1 43 06

2 05 2M 18 3 3 0 44 10

2 05 2M 2 4 0 44 10

2 042 12 2 0 2 44 32

2 016 8 4 0 0 44 92

997 2 2 1 2 45 38

1 972 4 4 1 0 45 99

1 .8843M 6 2 4 1 48 26

1 .8843M 3 3 1 48 26

1 .8773 11 2 2 2 48 45

1 . 8568M 4 4 2 0 49 02

1 .8568M 5 0 49 02

1 .8554 4 4 0 1 49 .06

. 8483 6 1 3 2 49 .26

1 .7834 7 3 4 0 51 .18

1 .7702 12 0 5 1 51 .59

1 . 7459 2 3 1 2 52 .36

1 . 7291M 14 1 5 1 52 .91

1 . 7291M 4 2 1 52 .91

1 .7242 10 2 5 0 53 .07

1 .7185 7 2 3 2 53 .26

1 .7023 4 4 3 0 53 .81

1 .6792 9 0 4 2 54 .61

1 .6688 7 3 4 1 54 .98

1 .6652 20 3 2 2 55 .11

43
Lead Bromide, PbBr2 - (continued)

d(A) jrel

O = ±4

hk£ 2e('')

1.6448 4 1 4 2 55.85

1.6017 4 4 3 1 57.49

1.5896M 7 5 1 0 57.97

1 .5896M 0 6 0 57.97

1.5602 2 1 6 0 59.17

1 .5564M 3 0 1 3 59.33

1 . 5564M 3 5 0 59.33

1.5505M 4 3 3 2 59.58

1.5505M 2 4 2 59.58

1.5390 4 4 4 0 60.07

1.5346 6 4 0 2 60.26

1.5295 7 1 1 3 60.48

1.5277 7 5 2 0 60.56

1 .5146 4 4 1 2 61.14

1.5068 15 5 1 1 61.49

1.4793 20 2 6 0 62.76

1 . 4699 6 2 0 3 63.21

1 . 4608M 2 4 2 2 63.65

1 . 4608M 1 5 2 63.65

1.4524 6 2 1 3 64.06

1.4384 1 5 3 0 64.76

1 . 4247 4 3 4 2 65.46

1.4138 7 0 3 3 66.03

1 . 4040 2 2 2 3 66.55

1.3938 2 2 5 2 67.10

1.3818 2 4 3 2 67.76

1.3759 2 5 3 1 68.09

1 . 3470 5 3 1 3 69 . 76

1.3358 7 5 4 0 70.43

1.3337 7 2 3 3 70.56

1.3196M 5 5 1 2 71.43

1.3196M 0 6 2 71.43

1 . 3094 5 0 7 1 72.07

44
Lead lodate, Pb( 103)2

CAS registry no. 25659-31-8

Sample

The sample was made by adding solid I2O5 to an aqueous solution of Pb(N03)2. This was digested by boiling for 1 hour and filtered.

The solid was then heated at 300 °C for 2 hours and at 250 °C for 16 hours.

Color

Colorless

Structure

Orthorhombic, Pnaa (56), Z = 4 [Staritzky and

Walker, 1956].

Lattice constants of this sample

a = 6.090(2) A

b = 16.690(3)

c = 5.580(2)

a/b = 0.3649

c/b = 0.3343

Volume o 567.2 A^

Density

(calculated) 6.523 g/cm^

Figure of merit

Fab = 31.1(0.017,58)

Reference intensity

I/I . = 11.9(5) corundum

Additional pattern

1. PDF card 11-85 [Staritzky and Walker,

1956]

Reference

Staritzky, E. and Walker, D. I. (1956). Anal.

Chem. 28, 914.

CuKaj A = 1.540598 A; temp 25±1 °C

Internal standard Si, a = 5.43088 A

d(A) I-^^l hk£ 20(°) a = ±1

8.36 4 0 2 0 10.57

3.996 2 1 1 1 22.23

3.694 2 1 2 1 24.07

3.309 100 1 3 1 26.92

3.047 15 2 0 0 29.29

0 d(A) jrel a = ±1

hk£ 20(°)

2 2 1 0 29 . 77

2 . 931 1 1 4 1 30.47

2.864 2 0 5 1 31 .20

2.784 23 0 6 0 32. 12 2.673M IL 2 0 1 33.50

0 £."7 OM L 5 u JJ . DU

2. bit/ 11 U

0 L 00 OA JO . o'» 2.594 4 1 5 1 0 / c c

o'f . 55

2 . 546 IL 2 2 1 35 . 22

2.508 IL 1 1 2 35.77

2.462 \ 2 4 0 36.47

2.307 IL 1 3 2 39 .01 2.250M 1 2 5 0 40.04

2 . 250M 2 4 1 40.04

2.194 IL 0 7 1 41.10

2 . 086M IL 0 8 0 43.34

2 . 086M 2 5 1 43.34

2 .055 20 2 6 0 44.04

2.043 6 2 1 2 44.31

1.996 1 2 2 2 45.39

1 .969 11 0 6 2 46.05

1 .930 IL 2 3 2 47.05

1 . 895 1 3 1 1 47.98

1 .877 IL 2 7 0 48.47

1.860M 3 3 2 1 48.94

1 . 860M 1 8 1 48.94

1 . 804 9 3 3 1 50.56

1 2 5 2 52.20

1 1V\ 2 3 4 1 52 . 70

1.7215 1 2 8 0 53.16

1 .6909 19 1 9 1 54.20

1 . 6707 1 0 8 2 54.91

1 . 6538 10 2 6 2 55.52

1.6373 IL 1 4 3 56. 13

1.5691 IL 1 5 3 58.80

1 .5569 IL 2 7 2 59 .31

1 . 5460 IL 1 10 1 59 . 77 1.5220 1 4 0 0 60.81

1.4643+ IL 0 11 1 63.48

1 . 4643+ 2 8 2 63.48

1.4235 1 1 11 1 65.52

1.4079 1 3 8 1 66.34

1.3905 2 0 12 0 67.28

45
Lithium Hydroxide, LiOH

CAS registry no. 1310-65-2

Sample

The sample was obtained from Fisher Scientific

Co., Fair Lawn, N. J. It contained a small

amount of LiOH*H20 and was somewhat unstable in

air. The d-spacing patterns were run with the

sample in vacuum grease, and the intensity patterns run with the sample in Canada Balsam.

Structure

Tetragonal, P4/ninm (129), 1 = 2. The structure of LiOH was determined by Ernst [1933).

Lattice constants of this sample

a = 3.5528(5) A

c = 4.3476(9)

c/a = 1.2237

Volume o 54.88 A^

Density

(calculated) 1.449 g/cm^

Figure of merit

Fi5 = 63.5(0.013,18)

Additional pattern

1. PDF card 4-708 [Ernst, 1933]

Reference

Ernst, T. (1933). Z. Phys . Chem. Leipzig

B20 , 65.

o CuKtti A. = 1.540598 A; temp. 25±1 °C

Internal s t-dndsrd bl, a - o

o a(.A;

,rel

1 hk£ Oft /"O O — XZ

4.352 43 0 0 1 20.39

2.754 100 1 0 1 32.49

2.514 22 1 1 0 35.69

2.174M 2 1 \ 41.51

2.174M 0 0 2 41.51

1.8540 6 1 0 2 49.10

1.7760 16 2 0 0 51.41

1.6435M 13 2 0 1 55.90

1.6435M 1

1 9 55.90

1.4919 10 2 1 1 62.17

1.4492 1 0 0 3 64.22

1.3754 1 2 0 2 68.12

1.3418 1 1 0 3 70.07

1.2828 3 2 1 2 73.81

1.2552 4 1 1 3 75.71

1.2068 1 2 2 1 79.33

1.1427 1 3 0 1 84.77

46
Magnesium Borate, 1^96407

CAS registry no. 12007-62-4

Sample

The sample was prepared by heating a 1:4 molar

mixture of MgCOa and H3BO3 at 600 °C for 3 days, followed by heating one hour at 800 °C,

and 16 hours at 600 °C with intermittent

grinding. There was a very small amount of

MgaBaOs present.

Color

Colorless

Structure

Orthorhombic, Pbca (61), Z = 8 [Kuzel, 1964].

Davis and Knight [1945] reported that this

phase had the composition of MgB204.

Lattice constants of this sample

a = 8.596(2) A

b = 13.729(4)

c = 7.956(2)

a/b = 0.6261

c/b = 0.5795

Volume o 938.9 A^

Density

(calculated) 2.540 g/cm^

Figure of merit

F30 = 32.8(0.014,64)

Reference intensity

I/I , = 0.57(11) corundum

Additional pattern

1. PDF card 17-927 [Kuzel, 1964]

References

Davis, H. M. and Knight, M. A. (1945). J. Amer.

Ceram. Soc. 28, 100.

Kuzel, H.-J. (1964). Neues Jahrb. Mineral.

Monatsh. 1964, 357.

0 CuKOi A = 1. 540598 A; temp

.

25±1 °C

Internal standard Ag, a = 4.08651 A

0 d(A)

jrel hk£ 2e(°)

u —

6.86 0

0z. n 12.89

5.37 19 1

1111 16.50

5. 196 98 0

0A. 1 17.05

4.447 81 11 2 1 19.95

4.098 24 0£- 1 0 21 .67

3.976 100 0 Q

0£. 22.34

3.636 37 2 2 0 24.46

3.607M 42 1 0 9 24.66

3.607M 1 3 1 24.66

3.441 64 0 2 2 25.87

3.314 2 2 ]^ 26.88

3.194 9 1 0z. 9 27.91

3.134 34 2 J n 28.46

2.959 13 1 4 1 30. 18

2.916M 29 2 0 2 30.63

2.916M 0z. 3J \ 30.63

2.836 51 1

<1J 2 31.52

2.683 33 2

/. u 33.37

2.644 8

3

1 1 33.87

2.542 6

0 4 1 35.28

2.485 18 \ J

11 36.12

2.474 21 0 9 0J 36.28

2.325M 6 3 u 9 38.70

2.325M 3 1 38.70

2.223M 43 2 4 2 40.54

2.223M 2 5 40.54

2.203 11 3 2 2 40.93

2.149 10 4 0 0 42.01

2.123 2

A

1 0 42.55

2.074 3

0 3 2 43.61

2.051M 11 1 44.12

2.051M 4

0 u 44. 12 2.001 8 2

c; 0 45.29

1.987M 10 0 0 4 45.61

1 .987M 4 2 1 45.61

1.958 7 2 6 46.34

1 .945 16 4 3 0 46.67

1.924M 21 3 L 47. 19 1.924M 5 1 47. 19

1 .911 7 n 2 4 47.54

1.886 4 2

A 48.20

1 .872 4 4

1I z, 48.60

1.872 3 2 48.60

1.861 3 1 5 3 48.89

1.822M 7 4 2 2 50.02

1 00 OM 1 . ozzn 4 4 0

C A AO 1.789 9 2 1 4 51.02

1.7450M 5 2 2 4 52.39

1.7450M 3 6 1 52.39

1.7227 8 1 7 2 53.12

47
Magnesium lodate Hydrate, Mg(I03)2 -AHgO

CAS registry no. 13446-17-8

Sample

The sample obtained from the Eastman Kodak Co.,

Rochester, NY, was recrystallized from an aqueous

solution at room temperature.

Color

Colorless

Structure

Monoclinic, P2i/a (14), Z = 2. It was assumed

to be isostructural with Co(I03)2 '41120 and

p-Ni(I03)2 •4H2O from a comparison of the powder

patterns and the cell sizes. The latter com- pounds were studied by Abrahams et al. [1973].

Preliminary lattice constants for Mg(103)2 •4H2O were obtained by the use of the axial ratios

given by Groth [1908).

Lattice constants of this sample

o a = A

b =

c =

8.5063(15)

6.6362(15)

8.3306(12)

P = 100.59(1)°

a/b = 1.2818

c/b = 1.2554

Volume o 462.25 A^

Density

(calculated) 3.206 g/cm^

Figure of merit

F30 = 47.8(0.015,41)

Reference intensity

I/I , = 2.44(8) corundum

Additional pattern

1. PDF card 20-676 [University College, Cardiff,

Wales]

References

Abrahams, S. C, Sherwood, R. C, Bernstein,

J. L., and Nassau, K. (1973). J. Solid State

Chem. 7, 205.

Groth, P. (1908). Chemische Krystallographie II (Engelmann, Leipzig, Germany) p. 120.

CuKOi A = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a -

0 5.43088 A

0 d(A) ,rel

I hkJi 20(°)

0 - ±2

8.18 Ik 0 0 1 10.81

5.154 100 0 1 1 17.19

4.631 13 -1 1 1 19.15

4. 174M 74 2 0 0 21.27

4.174M 1 1 1 21.27

4.094 12 0 0 2 21.69

3.535 8 2 1 0 25.17

3.478 55 2 0 1 25.59

3.445 48 -2 1 1 25.84

3.413 8 -1 1 2 26.09

3.318 5 0 2 0 26.85

3.236 13 -2 0 2 27.54

3.077M 15 2 1 1 29.00

3.077M 0 2 1 29.00

3.052 2 1 1 2 29.24

2.954 30 -1 2 1 30.23

2.912 4 -2 1 2 30.68

2.826 4 1 2 1 31.64

2.728 22 0 0 3 32.80

2.599 9 2 2 0 34.48

2.577M 6 -3 1 1 34.78

2.577M 0 2 2 34.78

2.570 6 3 1 0 34.88

2.540 9 -1 1 3 35.31

2.525 5 0 1 3 35.52

2.506 5 -2 0 3 35.81

2.493 6 2 1 2 36.00

2.397 6 2 2 1 37.49

2.387 11 1 2 2 37.66

2.364 3 -3 1 2 38.04

2 . 343M 2 -2 1 3 38.39

2 . 343M 3 1 1 38.39

2.316 4 -2 2 2 38.85

2.311 3 1 1 3 38.94

2. 137M 17 1 3 0 42.26

2.137M 0 3 1 42.26

2.114 6 2 0 3 42.74

2.089M 4 4 0 0 43.27

2.089M 2 2 2 43.27

2.046M 4 0 0 4 44.23

2 046M 1 3 1 44 23

2 019M 11 -4 1 1 44 85

2 019M -4 0 2 44 85

2 015 11 2 1 3 44 95

1 994 4 4 1 0 45 46

1 956M 4 0 1 4 46 39

1 956M 2 3 0 46 39

1 941M 4 4 0 1 46 76

1 941M -2 3 1 46 76

1 904 5 -2 1 4 47 72

48
Magnesium lodate Hydrate, Mg(I03)2'4H20 - (continued)

-|.rel a = ±2

hk£

1 .866 1 2 3 1 48.77

1 .834 3 1 1 4 49 .68

1.7925 2 3 2 2 50.90

1 . 7619 3 -1 2 4 51 .85

1.7425 2 0 2 4 52.47

1.7370 4 4 0 2 52.65

1 . 7327 4 3 3 0 52.79

1 . 7236M 7 -4 2 2 53.09

1 . 7236M -1 3 3 53 . 09

1.6801 2 4 1 2 54.58

1.6758 2 4 2 1 54. 73

1 .6654 2 -3 3 2 55 . 10 1.6465 2 1 3 3 55.79

1 .6298 1 -2 0 5 56.41

1.6190 1 -4 0 4 56.82

1.6092 2 -5 1 2 57.20

1.5901 4 0 1 5 57.95

1.5730 2 -4 1 4 58.64

49
a-Manganese, Mn

CAS registry no. 7439-96-5

Sample

The sample was obtained from Fisher Scientific

Co., Fair Lawn, NJ. It was annealed in vacuum

at 650 °C for 4 hours.

Color

Metallic gray

Structure

Cubic, I43m (217), Z = 58 [Gazzara et al.,

1967]

.

Lattice constant of this sample

a = 8.9121 (4) A

Volume £, 707.85 A^

Density

(calculated) 7.475 g/cm^

Figure of merit

F30 = 69.9 (0.012,37)

Polymorphism

There are also p, and 6 Mn, the most probable transition temperatures being a J P, 700 °C;

P t 1079 °C; a ; 6 1143 °C [Sully, 1955].

Additional patterns

1. PDF card 1-1237 [Hanawalt et al., 1938].

2. PDF card 20-180 [Swanson et al., 1969].

References

Gazzara, C. P., Middleton, R. M., Weiss, R. J.,

and Hall, E. 0. (1967). Acta Crystallogr.

22, 859.

Hanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Sully, A. H. (1955). Manganese (Butterworth

Scientific Publications, London), p. 127.

Swanson, H. E. , McMurdie, H. F. , Morris, M. C,

and Evans, E. H. (1969). Nat'l. Bur. Std.

U.S. Monogr. 25, Sec. 7, 142.

0 CuKaj \ - 1.540598 A; temp. 25±1 °C

Internal standard W, a = 3

0 16524 A

0 d(A)

^rel

I hkSL 2e(°) a = ±2

3 641 IL 2 1 1 24.43

3 153 1 2 2 0 28.28

2 571 3 2 2 2 34.87

2 382 3 3 2 1 37.74

2 227 7 4 0 0 40.48

2 101 100 4 1 1 43.01

1 8994 24 3 3 2 47.85

1 8193 9 4 2 2 50.10

1 7475 14 5 1 0 52.31

1 6274 1 5 2 1 56.50

1 5286 IL 5 3 0 60.52

1 4857 1 6 0 0 62.46

1 4460 1 6 1 1 64.38

1 4088 IL 6 2 0 66.29

1 3754 IL 5 4 1 68.12

1 3435 2 6 2 2 69.97

1 3138 IL 6 3 1 71.79

1 2864 4 4 4 4 73.57

1 2605 7 7 1 0 75.34

1 2125 17 7 2 1 78.88

1 1911 3 6 4 2 80.59

1 1701 2 7 3 0 82.34

1 1317 3 7 3 2 85.79

1 0969 2 8 1 1 89.22

1 0806 1 8 2 0 90.93

1 0652 1 6 5 3 92.63

1 0504 6 8 2 2 94.33

1 0361 1 8 3 1 96.05

1 0223 IL 6 6 2 97.79

1 0091 1 7 5 2 99.52

50
Mercury Acetate, C4HeHg204

Synonym

1. Mercurous Acetate

CAS registry no. 631-60-7

Sample

Hg2(N03)2 •2H2O was dissolved in water with

addition of 25% HNO3 and treated with a solution of CH3C02Na. The precipitate was washed with cold water and dried in a desiccator [Brauer, 1963].

Color

Colorless

Structure

Monoclinic, A-/", 1-1 [Puff at al., 1965].

Lattice constants of this sample

a = 12.185(3) A

b = 5.966(2)

c = 5.1867(13)

P = 100.08(2)°

a/b = 2.0424

c/b = 0.8694

Volume o 371.2 A^

Density

(calculated) 4.645 g/cm^

Figure of merit

F30 = 54.5(0.013,42)

Additional pattern

1. PDF card 19-799 [Puff et al., 1965]

References

Brauer, G. (1963). Handbook of Preparative

Inorganic Chemistry , (Academic Press, New

York, NY) p. 1120.

Puff, H., Lorbacher, G., and Skrabs, R. (1965).

Z. Kristallogr. Kristallgeometrie Kristallphys. Kristallchem. 122, 156.

CuKfli K = 1.540598 A; temp

.

25±1 °C

Internal standard Ag, a =: 4

0 08651 A

0 d(A)

^rel

I hk£ 20(° a = ±2

12.02 100 1 0 0 7.35

6.00 1 2 0 0 14.74

4.001 3 3 0 0 22.20

3.877 11 0 1 1 22.92

3.849 15 -1 1 1 23.09

3.553 2 1 1 1 25.04

3.477 14 -2 1 1 25.60

3.079 1 2 1 1 28.98

3.000 14 4 0 0 29.76

2.894 5 1 2 0 30.87

2.615 4 3 1 1 34.26

2.593 2 -1 0 2 34.57

2.544 IL -4 1 1 35.25

2.514 3 -2 0 2 35.69

2.399 8 5 0 0 37.46

2.346 2 -3 0 2 38.33

2.233 8 4 1 1 40.35

2.215 2 2 0 2 40.71

2.174 2 -5 1 1 41.51

2. 137 1 -4 0 2 42.26

2.115 3 4 2 0 42.72

2.000M 6 6 0 0 45.30

2.000M 3 0 2 45 . 30

1.956 1 -1 2 2 46.39

1.928 3 5 1 1 47 . 10

1.924 3 -5 0 2 47.20

1.882 4 -6 1 1 48.32

1.870 3 5 2 0 48.64

1.849 2 -1 3 1 49.23

1 .845 2 -3 2 2 49.36

1.8031 1 -2 3 1 50.58

1.7958 1 4 0 2 50.80

1 . 7769 1 2 2 2 51 .38

1.7276 IL -6 0 2 52.96

1.7141 IL 7 0 0 53.41

1.6602+ 2 -1 1 3 55.29

1.6602+ 3 2 2 55.29

1.6503M 2 -7 1 1 55.65

1.6503M -2 1 3 55.65

51
Mercury Hydroxide Nitrate, Hg(0H)N03

Synonym CuKaj \ = 1.540598 A; temp. 25±1 ° C

1. Mercury oxide nitrate hydrate. o Hg20(N03)2 •H2O Internal standard Ag, a

~ 4 08651 A

Sample d(A)

^rel

I hk£ 2e(°)

The sample was prepared by dissolving a = ±2

HgN03-H20 in a mixture of HNO3 and H2O.

The solution was evaporated at room

temperature. The first crystals formed 5. 93 100 -1 0 1 14. 93 were a mixture of phases and were dis- 4. 614 1 0 1 1 19. 22

carded. The second crystals formed were 4. 583 2 -1 1 1 19

.

35

used to obtain the measurements. o

i

.

OOZ 33 1 0 1 Z3

.

U

1

oJ

O A 18 2 0 0 ZD . OAz4

Color

Colorless 3 404 2 1 1 1 26 16

3 361 2 -2 1 1 26. 50

Structure 3 207 32 1 z U 27 80

Monoclinic, P2i/n (14), The 3 Uoo 18 0 z 1 ZoOft fiO structure was determined by Ribar et 3 005 19 0 0 2 29 71

al. [1971].

2 969 19 -2 0 2 30 07

Lattice constants of this sample 2 630 3 1 z

11 34 06

0 0 D IZ 12 -2 2 1 Q

1

3

1

a = 7 7438C11") A

2 582 9 -3 0 1 34 72

b = 7.1944(11)

2 454 3 2 1 1 36 59

c = 6.5893(11)

P = 114.28(1)°

2 430M 11 -1 Z Z 36 97

a/b = 1.0764 2Z

430M

ZD / 1

-3

-3

1

1

12

36

39

97

/3 c/b = 0.9159 oZ Z3b 0 Q A IL 3 1 u Volume 0 2 176 6 -1 0 3 41 47

334.62 A*^ 2 113 5 2 Z

11 42 77 Density 2 012 4 1 z z 45 01

I

I

991

984

54

-3

2

2 2

A

U

45

45

53

70

Figure of merit 1 9 /9 4 -3 0 3

ftO OZ

F30 = 39.1 (0.013,58)

1 970 4 3 2 0 46 04

Reference intensity 1 937 1 3 0 1

I.e. ob

1 930M 2 2 0 Z 47 05

I/l = 9.2(5) corundum 1 .930M 0 1 3 47 05

Additional pattern

1 9013 2 -4 0 2 47 . 80

1. PDF card 11-189 [Bernstein et al.,

1lyDQ^7 1

/ J

1 .8704 1 3 1 1 48 .64

1 .8547M 4 -4 1 1 49 .08

1 .8547M -2 Z 3 49 .08

References

1 .8378 IL -4 1 2 49 .56

1 .7982 3 0 4 0 50 .73

Bernstein, R. B. , Pars, H. G. , and Blumenthal,

D. C. (1957). J. Am. Chem. Soc. 79, 1579.

1 .7641 1 4 0 0 51 .78

Ribar, B. , Matkovic, B. , Sljukic, M. , and

1

1

1

.7487

.7435

.7206

3 0

1

2 3 52

52

.27 .44 Gabela, F. (1971). Z. Kristallogr.

2 4 0 Kristallgeometrie Kristallphys

.

3 -1 4 1 53 .19

Kristallchem. 134, 311.

1 .7135 1 4 1 0 53 .43

1 6938M 2 -4 2 1 54 10

1 6938M -3 3 2 54 10

1 6470 1 -2 0 4 55 77

1 6298 2 1 4 1 56 41

1 6266 1 -2 4 1 56 53

52
Mercury Hydroxide Nitrate, Hg(0H)N03 - (continue

o dfAl j.rel a = ±2

hk£

1 . 6025 1 2 4 0 57 . 46

1 .5519 1 -4 2 3 59.52

1 .5425 2 0 4 2 59.92

1 . 5383 2 -2 4 2 60 . 10

1.5204 IL -5 0 1 60.88

1 .5013 1 0 0 4 61 . 74

1 .4978M IL 4 1 61 .90

1 . 4978M -2 2 4 61 . 90

1.4874 1 -5 1 1 62.38

1.4836 1 -4 0 4 62.56

1.4743 1 -5 0 3 63.00

1.4699M 2 0 1 4 63.21

1.4699M -1 2 4 63.21

1.4608 1 -3 2 4 63.65

53
Niobium Boride

CAS registry no. 12045-19-1

Sample

The sample obtained from the metallurgy Section

at NBS was a mixture of t;NbB + Nb.

Color

Metallic gray

Structure

Orthorhombic , Cmcm(63), 2=4. The structure

was studied by Andersson and Kiessling [1950]

and by Brewer et al., [1951]. It is isostructural with CrB.

Lattice constants of this sample

a = 3.2973(4) A

b - 8.7229(10)

c = 3.1663(3)

a/b = 0.3780

c/b = 0.3630

Volume o 91.069 A^

Density

(calculated) 7.565 g/cm^

!Figure of merit

F^^ = 74.4(0.0095,38)

Additional pattern

1. PDF card 29-947 [Spear, K. and Blanks, Pennsylvania State University, University Park,

PA] .

References

Andersson, L. H. and Kiessling, R. (1950).

Acta Chem. Scand. 4, 160.

Brewer, L. , Sawyer, D. L., Templeton, D. H.,

and Dauben, C. H. (1951). J. Amer. Ceram.

Soc. 34, No. 6, 173.

O CuKtti k = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5 43088 A

o d(A) J r c X hk£ 29(°) a = +4

4.363 7 0 9 20.34

3.084 46 1 1 0 28.93

2.564 80 0 2 1 34.97

2.209 100 1 1 1 40.81

2.181M 97 1 3 0 41.37

2.181M 0

/, nu 41.37

1.7965M 30 1 3 1 50.78

1.7965M 0 4 1 50.78

1.6481 18 2 0 0 55.73

1.5831 13 0 0 2 58.23

1.5418M 2 2

0£- 0 59.95

1.5418M 1 5 0 59.95

1.4885 1 0 2 2 62.33

1.4540 6 0 6 0 63.98

1.4087 10 1 1 2 66.30

1.3863M 52 2 9 i 67.51

1.3863M 1 5 1 67.51

1.3212 8 0 6 1 71.33

1.3148 10 2 4 0 71.73

1.2808M 27 1 3 2 73.94

1.2808M 0

/.H 9 73.94

1.2145 6 2 4 1 78.73

1.1656 14 1 7 0 82.73

1.1419 9 2 0 2 ,84.84

1.1047M 2 2 2 2 "88.42

1.1047M 1 5 2 88.42

1.0904+ 5 2 6 0 89.89

1.0904+ 0 8 0 89.89

1.0707 3 0 6 2 92.01

1.0308+ 17 2 6 1 96.71

1.0308+ 0 8 1 96.71

1.0283 13 3 3 0 97.03

1.0257 7 0 2 3 97.35

1.0116 8 2 4 2 99.18

.9986 6 1 1 3 100.96

54
Pentaerythritol , C5H12O4

Synonym

1 . 2,2-Bis(hydroxymethyl)-l ,3-propanediol

CAS registry no. 115-77-5

Sample

The sample was obtained from Eastman Organic

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

Color

Colorless

Structure _

Tetragonal, 14 (82), Z = 2. The structure was determined by Llewellyn et al. [1937] and

Nitta and Watanabe [1937] and [1938a]. It was later refined by Shiono et al. [1957],

[1958]

.

Lattice constants of this sample

a = 6.0890(12) A

c = 8.7481(16)

c/a = 1.4367

Volume o 324.34 A3

Density

(calculated) 1.394 g/cm^

Figure of merit

F23 = 58.9(0.012,33)

Reference intensity

I/I , = 5.33(7) corundum

Polymorphism

There is a cubic high temperature form stable

from 179.5 °C to the melting point (260.5 °C).

[Nitta and Watanabe, 1938b].

CuKcfj \ = 1.540598 A; temp

.

25±1 °C

Internal standard w, a -

•5 0 16524 A

d(A)

jrel 2e(°) a = ±

4 998 6 1 0 1 17.73

4 371 100 0 0 2 20.30

4 306 4 1 1 0 20.61

3 068 7 1 1 Z 29.08

3 044 4 2 0 0 29.32

2 632 2 1 0 3 34.04

2 601 4 2 1 1 34.46

2 499 3 2 0 2 35.90

2 186 1 0 u

/,H 41.26

2 153 1 2 2 0 41.93

1 991 2 2 1 3 45.53

1 9506 1 1 1 4 46.52

1 9314 2 2 2 2 47.01

1 7769 IL 2

A

U 51.38

1 7619 IL 3 1 2 51.85

1 6815 IL 1 0 5 54.53

1 6649 1 3 0 3 55.12

1 6591 1 3 2 1 55.33

1 5336 IL 0£. 2 4

1 4722 IL 2 1 5 63.10

1 4581 IL 0 0 6 63.78

1 4451 IL 3 1 4 64.42

1 .3250 IL 3 0 5 71.09

Additional pattern

1. PDF card 3-214 [Dow Chemical Co. Midland,

MI]

References

Lewellyn, F. J., Cox, E. G. , and Goodwin, T. H. (1937). J. Chem. Soc. London, 1937 , 883.

Nitta, I. and Watanabe, T. (1937). Nature

London 140, 365.

Nitta, I. and Watanabe, T. (1938a). Sci. Pap.

Inst. Phys. Chem. Res. Tokyo 34, 1669.

Nitta, I. and Watanabe, T. (1938b). Bull.

Chem. Soc. Japan 13, 28.

Shiono, R. , Cruickshank, D. W. J., and Cox, E. G. (1957) . Acta Crystallogr. 10, 794.

Shiono, R. , Cruickshank, D. W. J., and Cox, E. G. (1958) . Acta Crystallogr. U, 387.

55
Phenyl hydrazine Hydrochloride, C6H8N2*HC1

Synonym

1. Hydrazinobenzene hydrochloride

CAS registry no. 59-88-1

Sample

The sample was obtained from Eastman Kodak Co.,

Rochester, NY. One of the lines at 26 = 38-96°

came only within 0.06° of the calculated value.

Color

Colorless

Structure

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

was studied by Koo [1965].

Lattice constants of this sample

a = 6.066(2) A

b = 30.641(6)

c = 3.884(2)

P = 100.86(5)°

a/b = 0.1980

c/b = 0.1268

Volume o 709.0 A^

Density

(calculated) 1.355 g/cm^

Figure of merit

F30 = 13.0(0.014,172)

Reference intensity

'"^''^ corundum 1-28(14)

Reference

Koo, 0. H. (1965). Bull. Cham. Soc. Jpn.

38, 262.

0 CuKhi k = 1.540598 A ; temp . 25±1 °C

Internal standard W, a 3.16524 A

0 d(A) Trel

I hkA 20(°) a = ±3

15 30 100 0 2 0 5. 77

7 66 22 0 4 0 11. 54

5 556 30 1 2 0 15. 94

4 706 22 1 4 0 18. 84

3 831 90 0 8 0 23. 20

3 700 20 0 2 1 24. 03

3 524M 8 -1 0 1 25. 25

3 524M 1 7 0 25 25

3 507 12 -1 1 1 25 38

3 417 22 0 4 1 26 06

3 224 13 1 8 0 27 65

3 065 33 0 10 0 29 11

2 977 41 2 0 0 29 99

2 924 12 2 2 0 30 55

2 901 4 -1 6 1 30 80

2 703 4 0 8 1 33 11

2 555 33 0 12 0 35 09

2 352 8 2 8 0 38 24

2 310 4 -1 10 1 38 96

2 188 1 0 14 0 41 22

2 185 2 -1 11 1 41 28

2 137M 9 2 2 1 42 26

2 137M 2 10 0 42 26

2 065 3 -2 9 1 43 81

2 034 1 2 11 0 44 51

1 938 8 2 12 0 46 83

1 9160M 3 -3 0 1 47 41

1 .9160M 0 16 0 47 41

1 .8234M 5 1 16 0 49 98

1 .8234M 2 9 1 49 98

1 .7616+ 2 -1 7 2 51 86

1 .7616+ 1 14 1 51 86

1 .7111 5 0 16 1 53 51

1 .6696 1 -3 9 1 54 95

1 .6370+ 2 3 1 1 56 14

1 .6370+ 1 18 0 56 14

1 .6105 1 2 16 0 57 15

1 .6061M 1 -2 15 1 57 .32

1 .6061M -1 17 1 57 .32

1 .5545 1 0 18 1 59 .41

1 .5323M 2 -3 12 1 60 .36

1 .5323M 0 20 0 60 .36

1 .4823M 2 4 2 0 62 .62

1 .4823M -3 5 2 62 .62

1 .4778+ 2 -4 2 1 62 .83

1 .4778+ 2 18 0 62 .83

56
Potassium Arsenic Fluoride, KAsFe

Synonym

1. Potassium hexafluoroarsenate

CAS registry no. 17029-22-0

Sample

The sample was obtained from Alfa Inorganics,

Beverly, MA.

Color

Colorless

Structure _ Hexagonal, R3m (166), Z = 3. The structure was determined by Roof [1955] and refined by Ibers

[1956]. It is isostructural with NH4SbF6.

Lattice constants of this sample

a = 7.3780(4) A

c = 7.3095(5)

c/a = 0.9907

Volume o 344.58 a3

Density

(calculated) 3.296 g/cm^

Figure of merit

F30 = 100.6(0.009,32)

Reference intensity

I/I , = 3.00(8) corundum

References

Roof, R. B. Jr., (1955). Acta Crystallogr.

8, 739.

Ibers, J. A. (1956). Acta Crystallogr. 9, 967.

0 CuKOi \ = 1 .540598 A temp . 25±1 °C

Internal standard W a 3.16524 A

d(A) jrel hk£ 26(°) a = ±2

4 810 69 1 A

u 1 18.43

3 684 100 1

1I 0 24.14

3 170 62 A

u 1 2 28.13

2 927 14 0 2 30 . 52

2 436 3 0 0 3 36 . 87

2 405 7 A

0 2 37.36

2 293 4 2 1 1 39.26

2 1287 5 J

AU 0 42.43

2 0317 7 1 1 3 44.56

2 0146 50 1 2 2 44.96

1 8445 7 Z z 0 49 .37

1 7569 2 L A

u 4 52.01

1 7227 5 1 03 1 53.12

1 6035 5 3 0 57 A?

1 5947 5 3 1 2 57 . 77

1 5859 6 0 z 4 58. 12

1 4707 3 z z 3 63.17

1 4632 9 U

/. 2 63.53

1 4571 12 2 1 4 63.83

1 4370 2 3 2 1 64.83

1 3943 6

/. 1 0 67.07

1 3605 4 z J 2 68 . 97

1 3293 1 z

A0 5 70.83

1 2720 2 1 3 4 74.54

1 2588 IL 0 5 1 75.46

1 2506 IL 1 2 5 76.04

1 2299 3 3 3 0 77.56

1 2181 1 0 0 6 78.45

1 2101 1 4 1 3 79.07

1 2063 3 5 0 2 79.37

1 2028 3 4 0 4 79 65

1 1914 1 2 4 1 80 56

1 1570 2 1 1 6 83 48

1 1466 2 4 2 2 84 41

1 1436 2 3 2 4 84 69

1 1338 1 5 1 1 85 59

1 1279 1 3 1 5 86 15

1 0951 IL 1 5 2 89 40

1 0649 IL 6 0 0 92 66

1 0574 1 3 0 6 93 52

1 0473 IL 0 5 4 94 70

1 0398 1 4 3 1 95 60

1 0352 IL 2 3 5 96 16

1 0307 IL 1 0 7 96 73

1 0231 XL 5 2 0 97 69

1 0165 XL 2 2 6 98 54

1 0093 XL 3 4 2 99 49

1 0074 IL 2 4 4 99 75

57
Potassium Hydrogen lodate, Y"KH(I03)2

CAS registry no. 13455-24-8

Sample

A sample labelled KH(I03)2 was obtained from

Fisher Scientific Co., Fair Lawn, N. J. It was recrystallized in water solution with the

pH adjusted with I2O5. This vphase decomposes

in moist air and minor amounts of another phase

may be present. The reflection, d = 4.590 and

I = 15 has 126 ^_ -26 , I - 0.056°.

I obs calc I

Color

Colorless

Structure

Monoclinic, P2i/c (14), Z = 8 [Argay et al.,

1969]

.

Lattice constants of this sample

a = 21.853(5) A

b = 8.206(3)

c = 7.031(2)

P = 98.02(3)°

a/b = 2.6631

c/b = 0.8568

Volume o 1249. A^

Density

(calculated) 4.149 g/cm^

Figure of merit

F30 = 16.8(0.018,97)

Polymorphism

The monoclinic polymorph, 0(-KH(I03)2, also has

the space group P2i/a but a cell volume of

629.6 A3 [Argay et al., 1969].

Additional pattern

1. Argay et al. [1969]

References

Argay, Gy. , Naray-Szabo, I., and Peter, E. (1969). J. Therm. Anal. 1, 413.

0 CuKOj \ = 1.540598 A; temp

.

25±1 °C

Internal standard W, a = 3 16524 A

d(A) jrel hk£ 2e( a = ±3

0 87 IL 2 0 0 8.13

6 55 IL 2 1 0 13.50

5 41M 41 3 1 0 16.38

5 41M 4 0 0 16.38

5 32 21 0 1 1 16.66

5 03 5 1 1 1 17.61

4 591 15 2 1 1 19.32

4 526 10 4 1 0 19.60

4 075 5 3 1 1 21.79

4 032 7 1 2 0 22.03

4 005 2 -4 1 1 22.18

3 831M 9 2 2 0 23.20

3 831M 5 1 0 23.20

3 602M 60 6 0 0 24.70

3 602M 4 1 1 24.70

3 530M 20 0 2 1 25.21

3 530M -1 2 1 25.21

3 481 42 0 0 2 25.57

3 457 45 -2 0 2 25.75

3 268M 100 4 2 0 27.27

3 268M -3 2 1 27.27

3 186M 44 2 0 2 27.98

3 186M -2 1 2 27.98

3 142 18 -6 1 1 28.38

3 135 17 -4 0 2 28.45

3 089M 41 7 0 0 28.88

3 089M 3 2 1 28.88

2 978M 5 5 2 0 29.98

2 978M 3 0 2 29.98

2 807 5 -7 1 1 31.85

2 759 1 4 0 2 32.43

2 705 18 8 0 0 33.09

2 649M 19 2 3 0 33.81

2 649M 5 2 1 33.81

2 567M 4 8 1 0 34.92

°)

2 567M -6 1 2 34 92

2 556M 4 3 3 0 35 08

2 556M 7 1 1 35 08

2 522 2 -8 1 1 35 57

2 432 3 5 1 2 36 93

2.411M 11

2.411M

2.347 5 2.313M 3 2.313M

-7 2 1 37 26

3 2 2 37 26

6 0 2 38 32

8 1 1 38 90

5 3 0 38 90

58
Potassium Hydrogen lodate, y"KH(I03)2 - (continued)

o d(A)

jrel a = ±3

hkJK 2e(°)

2. 283 IL -9 1 1 39.43

2. 250 4 7 2 1 40.04

2. 163M 2 10 0 0 41.72

2. 163M 5 2 2 41.72

2 133M 3 -6 3 1 42.35

2. 133M 2 1 3 42.35

2 107 2 9 1 1 42.89

2 092 3 10 1 0 43.22

2 075M 6 2 3 2 43.59

2 075M 9 2 0 43.59

2 057M 28 -9 2 1 43.99

2 057M 3 1 3 43.99

2 054 25 -9 1 2 44.05

2 034 24 -1 2 3 44.51

2 004M 9 8 0 2 45.22

2 004M -8 2 2 45.22

1 989 4 1 2 3 45.58

1 924+ 7 8 3 0 47.20

1 924+ 2 4 1 47.20

1 912+ 5 -11 1 1 47.52

1 912+ -10 1 2 47.52

1 803 3 12 0 0 50.59

1 783+ 9 11 1 1 51.19

1 783+ 6 4 0 51.19

1 768 7 0 4 2 51.67

1 763 6 -3 3 3 51.83

1 750 9 5 2 3 52.23

1 729 8 -4 0 4 52.91

1 725 7 2 4 2 53.06

1 717+ 4 2 3 3 53.30

1 .717+ -4 4 2 53.30

1 .701 4 -12 0 2 53.85

1 .682 5 2 0 4 54.52

1 .679M 4 1 1 4 54.60

1 .679M -5 4 2 54.60

1 .669M 5 -10 1 3 54.96

1 .669M 11 2 1 54.96

1 .6484M 4 -9 2 3 55.72

1 .6484M 2 1 4 55.72

1 .6338M 7 8 4 0 56.26

1 .6338M -6 4 2 56.26

1 .5962+ 2 10 2 2 57.71

1 .5962+ -10 3 2 57.71

1 .5448+ IL -4 5 1 59.82

1 .5448+ 6 4 2 59.82

59
Potassium Hydrogen Oxalate Hydrate, C4H3K08'2H20

Synonyms

1. Potassium trihydrogen oxalate dihydrate

2. Potassium tetroxalate

CAS registry no. 6100-20-5

Sample

NBS Standard Reference Material y/189.

Color

Colorless

Structure

Triclinic, PI (2), Z = 2. The structure was determined by Haas (1964).

Lattice constants of this sample

a = 7.031(2) A

b = 10.611(4)

c = 6.367(2)

a = 101.36(3)°

p = 100.18(2)

Y = 93.82(2)

a/b = 0.6626

c/b = 0.6000

Volume o 455.8 A^

Density

(calculated) 1.852 g/cm^

Figure of merit

F30 = 40.6(0.017,44)

Reference intensity

I/I ^ = 1.14(7) corundum

Additional pattern

1. PDF card 14-845 [Dow Chemical Co., Midland,

Michigan]

Reference

Haas, D. J. (1964). Acta Crystallogr. 17, 1511.

0 CuKOi X = 1.540598 A; temp. 25±1 "C

Internal standard W, a = 3 16524

0A

d(A) jrelhkJ^ 2e('')

CT = ±3

6.13 9 0 0 1 14.43

6.04 8 -1 1 0 14.66

5.85 1 0 -1 1 15.14

5.47 1 1 1 0 16.18

5.101 2 -1 0 1 17.37

0 d(A)

jrel

CT = ±3

26(0)

4.841 14 0 1 1 18.31

H. /O/ CD ~ 1 _" 11

11 Xo . OU

/. ART 1

J

AU ~z X1 Q QQ xy .yj H . 00 / 00

m. 1 zAu OA QO ZU . JZ

0a 1 1

11 01 1 c: Z 1 . ID

3.943 3 1 2 0 22.53

Q QOft i. " 1 ~Z X OQ 00 ZJ . zz

J . OZO 1 1

1X OA 0 Z^f . DO

J . Dy 1 AU z X OA 7<J Z*t . /o 5 - 1 z X OC 7 A ZD . /t*

3.446 5 0 3 0 25.83

0 AAA z u u

OR fiQ ZD . 00

0 Q7^^ ~z X A 0^ Oft Zo . 00

Q 1 J. jZI Au "J X zo0/i ftO . oZ

A zAu11 97 1

A

3.143 100 -2 -1 1 28.37

J. izj 7A u X z

Oft Zo . DO

J . Uo'f OQZO u U z OQ 1 0 zy . xz 0 . U'»l / -1 - X z OQ OC zy . DD

2 . 990 •7/

1X 0 -J 1 00zy . oo

2.963M 7 1 2 1 30.14

/ . yoon 11 A OA 1

A

0 Q0

1

1 Au ~z

0z OUOA "^ft

. Do

Z . oZU 0

1 z z D

01 71 X . / 1 Z / z z

1X DZ"^9

. n'\ \JD

2.783 22 -1 1 2 32.14

0 7Q7 Qy ~z z DZ00 . t^D Z . boo / z "Z X 00 AO DD . oy

z .3 ton 1 0iZ Au "J z DHOA 7 7 . / / 0 C 7 DM i ~z z

OA 7 7

2.544 4 -2 0 2 35.25

0 COT / z " X 0z0"; AA JD . HH z.juy C3 " 1 A A jD . 7A/ D Z . HOO 1 z DO . XD

0 A A OM Z • HHZn ZU i Z z DO . / 0

2.442M 1 -4 1 36.78

£, . IZO £.0 1 J 1 D07/ . noUD

1 X z 07 9"^ D / . ZD

1 0 A /. 2. 39h /.H -z "J X 07 (^.A D / . D** 1 00/. cD z ~ J X 07 7A D / . /U

2.361 13 -2 3 1 38.08

0 OA 0 Q0 J. -J z JO . J\J 0 QA 0 (.U X A

*f Au JO . tu

z . jlo z

0 n JO . 0J Z . Z<51 1 z z i J J . Ho

2.257 2 -3 1 1 39.91

2.232 6 -3 -1 1 40.37

2.199 3 -2 2 2 41.01

2.184 5 -3 2 0 41.30

2.146 7 -1 -4 2 42.07

60
Potassium Hydrogen Oxalate Hydrate, C4H3K08-2H20 - (continued)

o d(A) ,rel

I a = ±3hk£ 2e(°)

2.100M 2 2 -2 2 43.04

2. lOOM 0 -5 1 43.04

2.094 3 2 0 2 43. 17 2.083 2 -3 -2 1 43.41

2.068M 4 -1 0 3 43.73

2.068M 0 5 0 43.73

2.053 5 0 -2 3 44.07

2.049 3 3 -1 1 44. 16

2.040M 3 0 0 3 44.36

2.040M -1 5 0 44.36

2.015 2 -3 -1 2 44.94

2.009 2 -3 3 0 45.09

1.998 7 3 -2 1 45.35

61
Potassium Niobium Oxide, KNbOs

Synonym

1. Potassium niobate

CAS registry no. 12030-85-2

Sample

The sample was a Johnson Matthey chemical

obtained from Ventron Corp., Danvers, MA.

Major impurities

The manufacturer's spectrographic analysis

showed fts 3 ppm silicon.

Color

Colorless

Structure

Orthorhombic , Cm2m (38), Z = 2, isostructural with the distorted perovskite

form of BaTiOs. The structure was determined by Katz and Megaw [1954].

Lattice constants of this sample

a = 5.6950(4) A

b = 5.7213(3)

c = 3.9739(2)

a/b = 0.9954

c/b = 0.6946

Volume o 129.48 A^

Density

(calculated) 4.167 g/cm^

Figure of merit

F30 = 96.0(0.009,35)

Reference intensity

I/I corundum 5.26(12)

Polymorphism

Potassium niobium oxide crystallizes in

three modifications, orthorhombic at room temperature, changing to tetragonal at about 255 "C and cubic near 435 °C [Wood,

1951].

Additional pattern

1. PDF card 9-156 [Wood, priv. comm.]

References

Katz, L. and Megaw, H. D. (1967). Acta

Crystallogr. 22, 639.

Wood, E. A. (1951). Acta Crystallogr.

4, 353.

0 CuKaj K = 1.540598 A; temp. 25±1 °C

Internal standard w. a = 3 16524 A

d(A)

jrel hk£ 2e(°)

rr — 4-1 0 — i 1

4.035 47 1 1 0 22.01

90 U 0 1 22.36

2.859 36 0 2 0 31.26

2.848 46 2 0 0 31.39

2.832 100 1 1 1 31.57

2.322 1 0 2 1 38.75

I . U J.8U ii i. 2 0 44.88

1.9866 16 0 0 2 45.63

1.8081 3 1 3 0 50.43

1.7998 9 2 2 1 50.68

1.7831 6 1 1 2 51.19

ID 11 3 1 55.80

1.6413 19 3 1 1 55.98

1.6314 11 0 2 2 56.35

1.6296 6 2 0 2 56.42

1.4305 2 0 4 0 65.16

1 . 'zjy /, 0 0 65.50

1.4160 13 2 2 2 65.91

1 . 3458M 1 0 4 1 69.83

1 . 3458M 3 3 0 69.83

1 . 3405 1 4 0 1 70.15

1 '^'^7

1

X . J J / 1 0 1 3 2 70.35

1.3347 2 3 1 2 70.50

1.3249 IL 0 0 3 71.10

1.2782 2 2 4 0 74.12

1.2746M 7 4 2 0 74.36

11 . 07 A AM z / Hon J 3 1 74.36

1.2586 4 1 1 3 75.47

1.2169 IL 2 4 1 78.54

1.2137 IL 4 2 1 78.79

1.2020 IL 0 2 3 79.71

z u 4 2 83.13

1.1576 3 4 0 2 83.43

1.1221 IL 1 5 0 86.70

1.1170 IL 5 1 0 87.20

1.1142 IL 3 3 2 87.47

1.1075 IL 2 2 3 88.14

1.0797 1 1 5 1 91.03

1.0751M 3 5 1 1 91.53

1.0751M 2 4 2 91.53

1.0727 3 4 2 2 91.79

1.0687 3 1 3 3 92.24

1.0674 2 3 1 3 92.38

1.0091 1 4 4 0 99.52

.9934 IL 0 0 4 101.68

62
Potassium Niobium Oxide, KMbOg - (continued)

d(A)

a - ±1

hk£ 2e(°)

.9801 IL 3 5 0 103 62

.9780M IL 4 4 1 103 93

.9780M 5 3 0 103 93

.9769 IL 1 5 2 104 10

.9738 IL 5 1 2 104 57

.9696 IL 4 0 3 105 20

.9646 IL 1 1 4 105 99

.9534 IL 0 6 0 107 79

.9514 1 3 5 1 108 13

.9494M 2 5 3 1 108 46

.9494M 6 0 0 108 46

.9438 1 3 3 3 109 41

.9381 1 2 0 4 110 40

.9272 IL 0 6 1 112 35

.9231 IL 6 0 1 113 12

.9197 IL 2 4 3 113 76

63
Potassium Sulfate, K2S2O8

Synonym

1. Potassium persulfate

CAS registry no. 7727-21-1

Sample

The sample was obtained from the Fisher Scientific Co., Fair Lawn, NJ. and was recrystallized from an aqueous solution.

Color

Colorless

Structure

Triclinic, Z = 1 (assuming a density near 2.5).

The cell was obtained by V. Himes using a single

crystal on a diff Tactometer . The cell was con- firmed by the Visser program [1969]. Two somewhat

different triclinic cells were reported in the

literature (Keen, 1935 and Gerstacker et al.,

1928]. Our data did not index on either of these

cells

.

Lattice constants of this sample

o a = A

b =

c =

a =

P -

V

=

a/b

c/b

5.514(2)

7.038(2)

5.116(2)

106.11(2)°

90.15(3)

106.30(3)

= 0.7835

= 0.7269

Volume o 182.38

Density

(calculated) 2.461 g/cm^

(measured) 2.45 g/cm^

Figures of merit

F30 = 34.9(0.016,52)

M20 = 27.3

Reference intensity

I/I corundum 1.31(7)

Additional pattern

1. PDF card 12-483 [Institute of Physics, University College, Cardiff, Wales].

References

Gerstacker, A., Holier, H., and Reis, A. (1928). Z. Kristallogr. Kristallgeometrie

Kristallphys . Kristallchem. 66, 421.

Keen, R. C. (1935). Z. Kristallogr. Kristallgeometrie Kristallphys. Kristallchem. 91 , 129.

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

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

Inte rna

1

s t.3nd3 rd Si, a 5.43088

0A

0 jrel 2e(°) a = ±4

5.27 2 1 0 0 16. 80

4.892 15 0 0 2 18

.

12 4.847 20 _ I \ 0 18

.

29

4.602 11 _ 1 11 1

Q

27

3.750 9

_ 1 u11 71

3 . 699 1 -1 1 24. 04

3.603 4 \ 0 24. 69

3 443 0 I ?S . 86

3 . 268 56 _ 11

11 97 27

3 . 232M 100 0 2 0 27

.

58

3.232M -1 1 1 27 58

3. 153 3 0 -2 1 28 28

3.025 11 \ -2 1 29 50

2.736 14 -2 -[ 0 32 71

2.634M 9 I I 1 34 01

2 . 634M 2 0 0 34 01

2.548 10 0 -J 2 35 20

2.466 22 -2 -2 1 36 40

2 . 419 10 -2 2 Q 37 13

2.397 5 0 2 \ 37 49

2 . 358 3 -2 1 1 38 14 2.315 3 1 -1 2 38 87

2.297+ 5 -1 0 2 39 18

2 . 297+ 2 -2 1 39 18

2.273M 3 1 -3 1 39 62

2 . 273M -1 -1 2 39 62

2 . 239M 2 2 0 1 40 25

2 . 239M -1 3 0 40 25

2 . 224M 1 0 -3 1 40 52

2 . 224M 2 I 0 40 52

2. 154 3 0 3 0 41 90

2.098 1 0 1 2 43 08

1 . 995 5 2 45 42

1 . 975M 7 -2 3 0 45 91

1.975M 2 -3 1 45 91

1 . 923 10 1 0L 22

1.917 4 0 -3 2 47 39

1 . 881 7 -1 -3 1 48 35

1.858 2 -1 3 1 48 98

1.853 2 2 -2 2 49 .14

1.844 1 1 1 2 49 39

1.809 5 -2 -1 2 50 40

1.800 7 2 2 0 50 .66 1.753 2 1 -4 1 52 .14

1.711 3 3 -2 1 53 51

64
Potassium Sulfate, K2S20g - (continued)

d(A) jrel o = ±4

hkSL 2e(°)

1.6338M 3 -3 2 1 56.26

1.6338M -2 -2 2 56.26

1.6154M 8 1 -2 3 56.96

1.6154M 1 -1 3 56.96

1.6138M 4 1 -4 2 57.02

1.6138M -2 2 2 57.02

65
Scandium Boride, SCB2

CAS registry no. 12007-34-0

Sample

The sample was obtained from Cerac, Menomonee

Falls, WI.

Color

Metallic gray

Structure

Hexagonal, P6/mmm (191) Z = 1. The structure

was qualitatively done by Zhuravlev and

Stepanova [1958].

Lattice constants of this sample

a = 3.14573(12) A

c = 3.5175(2)

c/a = 1.1182

Volume o 30.145 A^

Density

(calculated) 3.667 g/cm^

Figure of merit

Fi9 = 73.3(0.011,23)

Additional pattern

1. PDF card 11-527 [Zhuravlev and Stepanova,

1958]

.

References

Zhuravlev, N. N. and Stepanova, A. A. (1958).

Kristallografiya 3, 83.

0 CuKWi \ = 1.540598 A; temp. 25±1 "C Internal standard W, a = 3 .16524 A

0 d(A) J

L C J. hki. 2e(°) a = ±2

3 517 17 0 0 1 ZD . JU

2 725 51 1 0 0 32.84

2 153 100 1 0 1 41.92

1 7594 10 0 0 z

1 5733 18 1 1 0 DO . DD

1 4774 13 1 0

0L OZ . oD

1 4358 8 1 1 1 64.89

1 3619 5 2 0 0 68.89

1 2703 12 2 0 X / . 00

1 1721M 12 0 0

0 oZ . 1 /

1 1721M 1 1 oZ . 1 /

1 0768M 8 1 0 3 91.34

1 0768M 2 0 2 91.34

1 0297 3 2 1

ftu 9883 8 2 1 1

.9401 IL 1 1 3 110.05

9081 3 3 0 0 116.05

.8885M 6 2 0 3 120.21

. 8885M 2 1 2 120.21

.8792M 2 0 0 4 122.35

.8792M 3 0 1 122.35

.8369 2 1 0 4 133.99

.8069 3 3 0 1 145.36

66
Silver Mercury Iodide, p-Ag2Hgl4

CAS registry no. 7784-03-4

Sample

The sample was obtained from Ventron Corp.

(Alfa), Danvers, MA.

Color

Vivid yellow

Structure _

Tetragonal, 14 (82), Z = 2, pseudocubic.

The structure of p-Ag2Hgl4 was determined by

Hahn et al. [1955]. A cell with c/2 was reported by Ketelaar [1931] and a cell with

2a was reported by Frevel and North [1950].

Lattice constants of this sample

a = 6.3302(8) A

c = 12.624(2)

c/a = 1.9942

Volume o 505.88 A^

Density

(calculated) 6.069 g/cm^

Figure of merit

F30 = 47.1(0.016,41)

Reference intensity

I/Icorundu« = ''"''^''^

Polymorphism

Above 60 °C, Ag2Hgl4 is cubic [Ketelaar,

1931]. Otsubo [1966] reports another

form of Ag2Hgl4 as hexagonal and stable

above 165 °C.

Additional patterns

1. PDF card 3-0949 [Ketelaar, 1931]

2. PDF card 4-0442 [Frevel and North,

1950]

3. PDF card 18-1183 [Hahn et al., 1955]

References

Frevel, L. K. and North, P. P. (1950). J. Appl. Phys. 21, 1038.

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

,Z. Anorg. Allgem. Chem. 279, 271.

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

Kristallgeometrie Kristallphys

.

Kristallchem. 80, 192.

Otsubo, Y., Nitta, A., Kaneko, M. , Iwata, Y.

,

and Ueki, A. (1966). Kogyo Kagaku

Zasshi 69, 1716.

0 CuKOi K = 1.540598 A; temp. 25±1 °C

Internal standard Si a == 5 43088

0A

d(A)

j-rel hk£

0 = ±1

0 . JU J 0 0 2 14.05

5.64 6 1 0 1 15.69

4.471 6 1 1 0 19.84

1 00 1 1 2 24.37

J 1 0 3 25.41

IL 2 0 0 28.19

3.156 IL 0 0 4 28.25

2.828 5 2 0 2 31.61

£..101 cD 2 1 1 32.40

z . o / 0 */. 1 1 4 2,^.11

•J 2 1 3 38.32

2.347M 1 0 5 38.32

2.236 45 2 0 4 40.31

9 1 0"* 9 0 0 6 42.97

9 OR! 0£. 3 0 1 43.46

9 007 1 3 1 0 45.27

1.908 19 3 1 2 47.62

1.904 18 1 1 6 hi .12

1 RftA 1 2 1 5 48.26

1 . / ^Oj 1 T 3 2 1 52.60

1 . 7340 IL 1 0 7 52.75

1.6907 IL 3 1 4 54.21

1.6203 1 3 2 3 56.77

1 'iR9Q •J 4 0 0 58.24

1 .5782 •J 0 0 8 58.43

\ 2 2 6 60.32

1.5240 IL 4 1 1 60.72

1.5206 IL 2 1 7 60.87

11 . ARR7 too

/

1 T

1 1 8 62.32

3 1 6 64.14

1.4416M 2 4 1 3 64.60

1.4416M 3 2 5 64.60

1.3813 IL 4 2 2 61.19

1.3494 IL 3 3 4 69.62

1.3119 IL 4 1 5 71.91

1.2917 4 4 2 4 73.22

1.2901 3 2 2 8 73.32

1.2643 IL 4 0 6 75.07

67
Sodium Chlorate Hydrate, NaC104-H20

Synonym

1. Sodium perchlorate hydrate

CAS registry no. 7791-07-3

Sample

The sample was recrystallized from reagent

material received from the Fisher Scientific

Co., Fair Lawn, NJ. The crystals were very

unstable, changing readily to the anhydrous

phase and back again depending on the

atmospheric relative humidity. *

Because of the sample's instability,

the intensities were calculated from

the structure data given by Berglund

et al. [1975].

Color

Colorless

Structure

Monoclinic, C2/c (15), Z = 8. The

structure was refined by Berglund

et al. [1975].

Lattice constants of this sample

a = 15.555(3) A

b = 5.5436(9)

c = 11.063(3)

p = 110.70(2)°

a/b = 2.8059

c/b = 1.9956

Volume o 892.4 A^

Density

(calculated) 2.091 g/cm^

Figure of merit

Fso = 26.0 (0.015,78)

Reference intensity

I/I^ und =1-3^ (calculated from

the'^sEruc^ral data)

Additional pattern

1. PDF card 28-1071 [Hanawalt et al.,

[1938]

References

Berglund, B. , Thomas, J. 0., and Tellgren,

R. (1975). Acta Crystallogr. B31, 1842.

Hanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

CuKOi \ = 1.540598

oA; temp. 25±1 °C

Internal standard W, a 3.16524 A

d(A) I hk£

5. 18M 44 1 1 0 17 . 10

5.18M 0 0 2 17.10

4.894 2 -1 1 1 18.11

4.421 6 1 1 1 20.07

3.648+ 77 2 0 2 24. 38

3 . 648+ 3 1 0 24.38

3 . 445M 100 1 1 2 25.84

3 . 445M -3 1 2 25.84

3.187 5 3 1 1 27.97

2.928 3 -3 1 3 30.51

2.771 9 0 2 0 32.28

2.764 11 -2 0 4 32.36

2.707 3 -5 1 1 33.06

2.666 4 . 3 1 2 33.59

2.660 3 -5 1 2 33.66

2.592M 1 -2 2 1 34.58

2.592M 2 2 0 34.58

2.585M IL 0 0 4 34.67

2.585M -4 0 4 34.67

2.577M IL 4 0 2 34.78

2.577M 5 1 0 34.78

2.467 1 -5 1 3 36.39

2.443+ 5 0 2 2 36.76

2.443+ -2 2 2 36.76

2.437 5 -3 1 4 36.86

2.228 1 3 1 3 40.45

2 . 205+ 16 4 2 0 40.90

2.205+ 2 0 4 40.90

2.162 1 0 2 3 41 . 75

2.063 4 5 1 2 43.85

2.060 3 -7 1 2 43.92

2.040 1 -7 1 1 44.36

2.011 1 -1 1 5 45.04

1.958M 1 -2 2 4 46.33

1.958M 2 2 3 46.33

1.947M 1 6 0 2 46.61

1.947M 7 1 0 46.61

1.885M 2 -6 2 2 48.23

1.885M -6 2 1 48.23

1.844 IL 1 1 5 49.39

1 . 825M 7 4 0 4 49.93

1.825M 6 2 0 49.93

1.820M 8 -8 0 4 50.07

1 . 820M -1 3 1 50.07

1.811 IL 5 1 3 50.35

1.792 IL 1 3 1 50.92

1.739 2 -3 3 1 52.57

1 . 724M 9 0 0 6 53.08

1 . 724M -6 2 4 53.08

1 . 722M 8 -6 0 6 53.16

68
Sodium Chlorate Hydrate NaC104'H20 - (continued)

d(A) l" hk£ 2e(°)

1.722M 6 2 1 53. 16

1 . 7040M 1 1 3 2 53.75

1.7040M -3 3 2 53.75

1.7017M 3 -1 1 6 53.83

1.7017M -4 2 5 53.83

1.6691 1 3 3 1 54.97

1.6497M IL 7 1 2 55.67

1.6497M -1 3 3 55.67

1.5919 1 -8 2 2 57.88

1.5794M 1 3 3 2 58.38

1.5794M -5 3 2 58.38

1.5514M IL 9 1 0 59.54

1.5514M -10 0 2 59.54

1.5254M 1 2 2 5 60.66

1.5254M 4 2 4 60.66

1.5202 2 8 2 0 60.89

1.5126 IL -9 1 5 61.23

1.5006M IL 5 3 1 61.77

1.5006M -5 1 7 61.77

1.4199M 2 3 1 6 65.71

1.4199M -7 3 2 65.71

1.4162 3 -3 3 5 65.90

1.3860 1 0 4 0 67.53

1.3816M 2 7 3 0 67.77

1.3816M 4 0 6 67.77

1.3734 1 0 4 68.23

1.3631 1 -11 1 2 68.82

1.3543+ 1 7 1 4 69.33

1.3543+ 8 2 2 69.33

1.3385+ IL -2 4 2 70.27

1 . 3385+ 2 4 1 70.27

1.3342M 1 -11 1 1 70.53

1.3342M 6 2 4 70.53

1.3309M 1 -10 2 4 70.73

1.3309M -10 2 1 70.73

1.2953M 1 -4 4 2 72.98

1.2953M 4 4 0 72.98

69
Sodium L{+)-G1utamate Hydrate, C5HgNNa04'H20

Synonym

1. Monosodium glutamate hydrate

2. Accent

CAS registry no. 142-47-2

Sample

The sample was manufactured by the Ajinomoto

Co., Japan, and purchased as a food additive.

It was recrystallized from a mixture of water

and ethanol.

Color

Colorless

Structure

Orthorhombic, P2i2i2i(19), Z = 8. The unit

cell and space group were determined by Uno

[1952]

.

Lattice constants of this sample

a = 15.235(3) A

b = 17.937(4)

c = 5.667(2)

a/b = 0.8494

c/b = 0.3104

Volume o 1521.3 A^

Density

(calculated) 1.634 g/cm^

Figure of merit

F30 = 45.6(0.014,48)

Reference intensity

I/I , = 0.35(2) corundum

Additional pattern

1. PDF card 18-1904 [Institute of Physics,

University College, Cardiff, Wales]

Reference

Uno, T., (1952). Yokugaku Zasshi (J. Pharm.

Soc. Japan) 72, 26.

CuKOi \ = 1.540598 A; temp. 25±1 °C

o Internal standard Si, a = 5.43088 A

d(A) I rel

= ±2

hk£ 2e(°)

62 J 1 1X 0 7 g Q5 10 Q 2 0 q 0 / 7 72 10 \ 2 0 1

1

46

7 61 4 2 0 0 11 62

7 02 3 2 1 0 12 60

5 80 15 2 2 0 15 27

5 562 5 1 3 0 15 92

5 024 8 1 1 1 17 64

4 886 2 3 1 0 18 14

4 697 4 2 3 0 18 88

4 519 95 1 2 1 19 63

4 416 75 3 2 0 20 09

4 358 39 2 1 1 20 36

4 298 I 4 0 20 65

4 017 38 2 2 1 22 11

3 935 24 3 I 22 58

3 860 32 2 4 0 23 02

3 807 88 4 0 0 23 35

3 728 33 4 0 23 85

3 589 33 2 3 1 24 79

3 505 100 4 2 0 25 39

3 460 17 3 2 1 25 73

3 402 18 1 4 26 17

3 361 12 4 0 26 50

3 24 4 3 0 27 78

3 175M 74 3 3 1 28 08

3 175M 2 4 1 28 08

3 141 19 4 0 1 28 39

3 096 19 4 1 1 28 81

2 958 16 1 5 1 30 19

2 931M 8 1 6 0 30 47

2 931M 3 5 0 30 47

2 901 19 4 4 0 30 80

2 879 37 3 4 1 31 04

2 802 16 2 5 1 31 91

2 784+ 8 0 0 2 32 12

2 784+ 2 6 0 32 12

2 715 2 5 3 0 32 97

2 706 2 1 1 2 33 08

2 642 9 5 1 1 33 90

2.633 14

2.612M 25

2.612M

2.593M 29

2.593M

0 6 1 34 02

2 0 2 34 30

4 5 0 34 30

1 6 1 34 57

3 5 1 34 57

70
Sodium L(+)-Glutamate Hydrate, C5H8NNa04-H20 - (continued)

d(A)

j.rel

a = +2

2e(°)

2.562 7 5 2 1 35.00

2.525M 9 1 7 0 35.53

2.525M 0 3 2 35.53

2.521 9 5 4 0 35.58

2.489M 26 1 3 2 36.06

2.489M 2 6 1 36.06

2.441+ 16 6 2 0 36.79

2.441+ 3 0 2 36.79

2.362 11 4 5 1 38.06

2.356 12 3 2 2 38.16

2.352 17 4 6 0 38.24

2.338+ 9 3 6 1 38.48

2.338+ 6 3 0 38.48

2.310 8 6 0 1 38.96

2.301 16 1 7 1 39.11

2.296 17 5 4 1 39.21

2.258M 16 3 3 2 39.90

2.258M 2 4 2 39.90

2.237 24 6 2 1 40.28

2.230 22 4 1 2 40.42

2.227 19 2 7 1 40.48

2.200 12 0 5 2 41.00

2.167 41 4 6 1 41.65

2.144M 6 3 4 2 42.12

2.144M 5 5 1 42. 12

2.135 4 5 6 0 42.29

2.126 4 4 7 0 42.49

2.115M 6 3 7 1 42.71

2.115M 7 2 0 42.71

2.060 5 1 8 1 43.92

2.052 9 3 8 0 44.10

2.037 4 0 6 2 44.44

1.994 7 5 6 1 45.46

1.987 5 4 7 1 45.62

1.959 7 7 4 0 46.31

71
Sodium Hydrogen Oxalate Hydrate, C2HNa04-H20

Synonym

1. Sodium binoxalate hydrate

2. Sodium acid oxalate hydrate

CAS registry no. 16009-94-2

Sample

The sample was obtained from Fisher Scientific

Co., Fair Lawn, N. J. It was recrystallized

from a hot aqueous solution to which a small

amount of H2C2O4 was added. The sample was mounted in Canada Balsam for the intensity measurements. Since the material exhibited strong

cleavage and a tendency to lose H2O, the intensity determinations may be subject to some error

Color

Colorless

Structure _

Triclinic, PI (2), Z = 2 [Hendricks, 1935].

Lattice constants of this sample

a = 6.516(2) A

b = 6.675(2)

c = 5.708(2)

a = 95.06(4)°

P = 109.96(4)

V

= 75.03(2)

a/b = 0.9762

c/b = 0.8551

Volume o 225.43 A^

Density

(calculated) 1.916 g/cm^

Figure of merit

F30 = 26.2(0.016,71)

Additional pattern

1. PDF card 14-755 [Hanawalt et al., 1938]

References

Hanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Hendricks, S. B. (1935). Z. Kristallogr.

Kristallgeometrie Kristallphys . Kristallchem.

92, 301.

0 CuKai \ = 1.540598 A temp

.

25±1 °C

Internal standard W a == 3

0 16524 A

0 d(.A) T-rel

1 hkA 2e(°)

-1. 'J (J - ij

6 44 4 0 1 0 13.73

5 93 IL 1 0 0 14.92

5 JO 0 0 1 16.53

5 UZ / 1 1 0 17.63

AH ODZ 1 0 1 10 . Z J

4 318 11 -1 -1 1 20.55

4 132M 10 0 -1 1 21.49

4 0 1 1 21.49

3

Q 1 Q 1 A -1 1 0 22.67

•3 zzo ft 2 0 z / . 00

3 179 12 1 2 0 28.05

3 084 4 -2 -1 1 28.93

2 98 / 2 1 0 29.89

2 yoo 1 AA 100 2 0 0 30.08

£ 0 0 zl 0 2

Q Q Q 7 J J . 0 /

2 583 6 -1 2 0 34.70

2 568 IL -2 -2 1 34.91

2

C OA 530 7 -2 1 1 35.45

2 /DO -1 1 2 36.16

9 1 D 18 A\j -1 2

2 477+ 0 1 2 36.24

2 442 8 -2 -1 2 36.77

2 306 3 2 1 1 39.03

2

oc ^ 256 5 -1 -2 2 39.93

z 165 00

_oJ -1 1

2 131M 9 1 1 2 42.39

2 131M -1 -3 1 42.39

2

Art "7 097 0 -3 0 1 43.10

2 063+ 7 2 2 1 43.84

z 063+ u -2 2

2 012+ 2 -3 -2 1 45.02

2 012+ -1 2 2 45.02

1 959 7 -2 2 0 46.32

1 A A^ 5 3 2 0 47.67

y1 893 IL 1 0 3

Aft Al

1 85 8M 3 -3 1 1 49.00

1 858M -1 -1 3 49.00

1 835 4 -1 3 1 49.64

1 780 4 -1 1 3 51.28

1 7416M 5 -3 -3 1 52.50

1 7416M 2 3 1 52.50

1 7270 13 2 0 2 52.98

1 6852 IL 3 0 1 54.40

1 6610 9 1 4 0 55.26

1 6408 2 -3 -3 2 56.00

72
Sodium lodate Hydrate, NaI03-H20

Synonym

1 . Sodium iodate monohydrate

CAS registry no. 22451-04-3

Sample

The sample was crystallized by slow evaporation

of an aqueous solution of NalOs. The material

was somewhat unstable; thus, the intensity measurements may be slightly in error.

Color

Colorless

Structure

Orthorhombic , P22i2 (17), Z = 8, assuming a density near 2.5. Indexed by use of the Visser

program. The space group was assumed, based

on the consideration of the absent reflections.

Lattice constants of this sample

a = 9.065(3) A

b = 16.632(5)

c = 7.638(2)

a/b = 0.5450

c/b = 0.4592

Volume o 1151.6 A^

Density

(calculated) 2.491 g/cm^

Figures of merit

F30 = 18.7(0.013,120)

M20 = 12.2

Reference intensity

I/I , = 2.42(14) corundum

Additional pattern

1. PDF card 1-156 [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 CuKai K = 1.540598 A- temp

.

25±1 °C

Internal standard Si a := 5 43088 A

0 d(A)

rel

I hk£ 2e(°) a = ±3

6.93 76 0 1 1 12.77

5.836 100 1 0 1 15.17

4.774 25 1 2 1 18.57

3.976 62 2 2 0 22.34

3.792 8 2 1 1 23.44

3.441 84 1 1 2 25.87

3.189 39 2 3 1 27.96

3.021 85 3 0 0 29.55

2.971M 44 3 1 0 30.05

2.971M 1 3 2 30.05

2.919 8 2 0 2 30.60

2.890 19 1 5 1 30.92

2.771M 20 0 6 0 32.28

2.771M 3 1 1 32.28

2.661 25 3 2 1 33.65

2.654M 13 3 3 0 33.74

2.654M 1 6 0 33.74

2.449 4 1 0 3 36.67

2.391 12 2 4 2 37.59

2.345 9 3 1 2 38.35

2.328 3 3 4 1 38.64

2.314 5 0 3 3 38.88

2.279 23 3 2 2 39.51

2 . 243M 11 0 6 2 40.17

2.243M 1 3 3 40.17

2.201M 4 1 7 1 40.97

2.201M 2 1 3 40.97

2.144 4 2 2 3 42.11

2.112 14 1 4 3 42.78

2.023M 6 4 3 1 44.77

2.023M 0 5 3 44.77

2.017 7 0 7 2 44.91

2.011 7 2 6 2 45.05

1.989 5 4 4 0 45.56

1.969 26 1 7 2 46.05

1.930 7 3 5 2 47.04

1.8976M 4 4 2 2 47.90

1.8976M 0 1 4 47.90

1.8744 10 0 6 3 48.53

1.8469 4 2 5 3 49.30

1.8344 13 2 8 1 49.66

1.8196 4 4 5 1 50.09

1.7708M 11 5 2 0 51.57

1.7708M 1 3 4 51.57

1.7497 9 2 1 4 52.24

1.7355 6 0 4 4 52.70

1.7218 7 2 2 4 53.15

1.6846 8 4 1 3 54.42

73
Sodium Sulfate Hydrate, Na2S203 -51120

Synonym

1. Sodium thiosulfate pentahydrate

CAS registry no. 10102-17-7

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lawn, NJ.

Color

Colorless

Structure

Monoclinic, P2i/a (14), 2=4. The structure

of Na2S203*5H20 was determined by Taylor and

Beevers [1952].

Lattice constants of this sample

a = 7.5361(14) A

b = 21.595(6)

c = 5.9503(12)

p = 103.80(2)°

a/b = 0.3490

c/b = 0.2755

Volume o 940.4 A^

Density

(calculated) 1.753 g/cm^

Figure of merit

Fsb = 52.3(0.012,47)

Additional pattern

1. PDF card 13-528 [University College,

Cardiff, Wales]

Reference

Taylor, P. G. and Beevers, C. A. (1952).

Acta Crystallogr. 5, 341.

CuKOi \ = 1.540598 A; temp. 25±1 °C

o Internal standard W, a = 3.16524 A

d(A) I^"^ hk£ 2e(°) a = ±1

10 79 4 0 2 0 8 19

6 93 5 1 1 0 12 76

6 05 19 1 2 0 14 62

5 775 32 0 0 1 15 33

5 580 24 0 1 1 15 87

5 /AT 401 100 0 4 0 16 / A 40

5 125 15 1 3 0 17 29

5 024 20 -1 1 1 17 64

4 665 19 -1 2 1 19 01

4 507 23 0 3 1 19 68

4 339 5 1 4 0 20 45

4 205 28 -

1

3 1 21 11 010 / 1 1 1 22 15

3

A / C 945 11 0 4 1 22 52

3 823 31 1 2 1 23 25

3 660 35 2 0 0 24 30

3 601 16 0 6 0 24 70

3 552 25 1 3 1 25 05

3 490 16 -2 0 1 25 50

3 446 27 -2 1 1 25 83

3 324 46 -2 2 1 26 80

3 258M 2 2 3 0 27 35

3 258M 1 4 1 27 35

3 141 35 -2 3 1 28 39

3 031 2 2 4 0 29 45

2 957 60 -1 6 1 30 20

2 911 35 -1 1 2 30 69

2 864 37 0 1 2 31 20

2 843 34 1 7 0 31 44

2 794M 55 2 5 0 32 01

2 794M 0 2 2 32 01

2 721M 10 0 7 1 32 89

2 721M -1 3 2 32 89

2 648 1 -1 7 1 33 82

2 613 9 2 3 1 34 29

2 586 8 -2 0 2 34 66

2 566 6 2 6 0 34 94

2 548 6 0 4 2 35 20

2 532 7 1 8 0 35 42

2 506 13 -2 6 1 35 80

2 489 8 2 4 1 36 06

2 451 47 -3 1 1 36 64

2 428M 20 -1 5 2 36 99

2 428M 1 2 2 36 99

2 355 16 1 3 2 38 19

2 335M 3 -3 3 1 38 52

2 335M -2 4 2 38 52

2 275 6 -1 6 2 39 58

2 263 10 1 4 2 39 81

2 218M 19 -2 5 2 40 65

74
Sodium Sulfate Hydrate, Na2S203'5H20 - (continued)

o d(A)

^rel

1 a = ±1

hkSL 2e(."j

2.218M 0 9 1 /A ^ C 40.65

2. 160M 7 0 10 0 41.78

2.160M 1 5 2 41.78

2.144 3 -3 5 1 42.12

2.137 4 -2 8 1 42.25

2. 124 3 3 5 0 42.53

2. 100 10 -2 6 2 43.03

2.091 10 -3 9 43.23

2.070M 9 1 10 0 43.69

2.070M 1 9 1 43.69

2 . 036 17 -3 6 1

/ / / "7 44 . 47

2.007M 7 2 2 2 45.13

2.007M 2 9 0 45.13

1.994M 6 3 3 1 45.44

1.994M -1 10 1 45.44

I . y /O O ~Z 9 1 1.951 3 -1 2 3 46.51

1.9111+ 11 -1 3 3 47.54

1.9111+ -3 5 2 47.54

1.8961M 3 0 2 3 47.94

1 0 n ^ 1

M

1 . oyo in 1 11 0

1.1 a/. 1.8784 3 -4 0 1 48.42

1.8604+ 4 0 3 3 48.92

1.8604+ 2 10 0 48.92

1 . OHODU 7 0£. 5 2 LQH!7 1 . J 1

1.8466M 0 9 2 49.31

1.8371 18 -2 10 1 49.58

1.8098 10 3 8 0 50.38
strontium Bromate Hydrate, Sr(Br03)2'H20

CAS registry no. 10022-52-3

Sample

The sample was made by reaction between SrCOs

and H2Br03.

Color

Colorless

Structure

Monoclinic, P2i/n (14), Z = 4. The cell was obtained from axial ratios of Groth [1908],

assuming Z = 4 and using a density of 3.778 as quoted by Groth [1908]. The space group was assumed from the peak absences.

Lattice constants of this sample

a = 9.375(2) A

b = 7.6205(12)

c = 8.877(2)

P = 91.86(2)°

a/b

c/b

1.2302

1.1648

Volume o 633.8 A^

Density

(calculated) 3.788 g/cm^

Figure of merit

F30 = 35.3(0.012,74)

Reference intensity

I/I . = 2.7(2) corundum

Reference

Groth, P. (1908). Chemische Krystallographie

II , (Wilhelm Engelmann, Leipzig, Germany)

p. 113.

0 CuKOj \ = 1.540598 A; temp. 25±1 °C

Internal standard W, a = 3 16524 A

d(A) jrel hk£ 2e(°)

0 = ±3

5.91 6 1 1 0 14.97

5.779 33 0 1 1 15.32

4.687 4 2 0 0 18.92

4.434 23 0 0 2 20.01

3.836 12 0 1 2 23.17

3.811 32 0 2 0 23.32

3.681 6 -2 1 1 24.16

3.586 31 -1 1 2 24.81

3.515 20 1 1 2 25.32

3.293 32 -1 2 1 27.06

0 a(A)

.rel

1 0-13hk£ 2e(°)

3.275 39 -2 0 2 27.21

3.171 47 2 0 2 28.12

2.956 47 2 2 0 30.21

2.891M 100 0 2 2 30.91

2.891M 3 1 0 30.91

2.757 3 0 1 3 32.45

2.484 5 -2 2 2 36.13

2.453 13 1 3 0 36.60

2.445 13 0 3 1 36.72

2.438 11 2 2 2 36.83

2.409 2 -2 1 3 37.30

2 . 345+ 5 2 1 3 38.36

2.345+ -3 2 1 38.36

2.316 16 3 2 1 38.85

2.281 4 -1 2 3 39.47

2.254 2 1 2 3 39.97

2.217 25 0 0 4 40.66

2.188 8 -4 1 1 41.23

2.173 4 -2 3 1 41.52

2.156M 8 4 1 1 41.86

2.156M 2 3 1 41.86

2.138 3 1 3 2 42.23

2 . 099M 6 -3 1 3 43.07

2.099M 3 2 2 43.07

2.063 1 1 1 4 43.85

2.044 2 4 0 2 44.27

1.9160+ 4 2 1 4 47.41

1.9160+ 0 2 4 47.41

1.8931 5 -3 2 3 48.02

1.8237 9 1 4 1 49.97

1.8189 11 5 1 0 50.11

1.8145 10 -3 3 2 50.24

1.7876 19 3 3 2 51.05

1.7651 10 2 4 0 51.75

1.7591 10 4 1 3 51.94

1.7509 11 0 4 2 52.20

1.7343+ 7 3 1 4 52.74

1.7343+ -2 4 1 52.74

1 . 7020 9 -5 1 2 53.82

1.6832 1 4 3 1 54.47

1 . 6649 7 5 1 2 55.12

1.6514 2 -1 3 4 55.61

1.6341M 4 4 2 3 56.25

1.6341M 2 4 2 56.25

1.6043 2 -3 4 1 57.39

1.5921 3 4 3 2 57.87

1.5829 2 -1 4 3 58.24

1.5617M 2 2 3 4 59.11

1.5617M 6 0 0 59.11

1.5077+ 7 2 2 5 61.45

1.5077+ 5 3 0 61.45

1.4774 2 4 4 0 62.85

76
strontium Chromium Ox ide, SrCr207

Synonym

1. Strontium dichromate

Sample

The sample was prepared by beating SrCr207*3H20

at 130 °C for 18 hours, followed by heating

at 150 "C for 24 hours.

Color

Deep orange yellow

Structure

Tetragonal, P42/nmc (137), Z = 8, isostructural

with PbCr207. The structure of SrCr207 was determined by Wilhelmi [1967].

Lattice constants of this sample

a = 11.1925(7) A

c = 9.4833(11)

c/a = 0.8473

Volume o 1188.0

Density

(calculated) 3.395 g/cm^

Figure of merit

F30 = 72.4(0.010,41)

Reference intensity

I/I , = 2.35(8) corundum

Additional pattern

1. PDF card 20-1191 (Wilhelmi, 1967]

Reference

Wilhelmi, K.-A. (1967). Ark. Kemi 26, 149.

CuKai \ = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5

0 .43088 A

0 rel

1 hkS. 2e(°)

rru —— +9iiC

7.91 2 1

11 n\j 1111.1/17

/ . £.H 1 n 1 19 99

5.601 5 2 0 0 15.81

4.739 3 0

0i. IR 71 4.423 11 2 1 1 20.06

4.070 4 1 1 2 21.82

3.955 2 2 2 0 22.46

3.619 68 2 0 2 24.58

3.538 4 3 1 0 25.15

3.474 25 3 0 1 25.62

3.443 5 2 1 2 25.86

3.315 100 3 1 1 26.87

3.040M 32 1 0 3 29.36

3 . 040M 2 2 2 29.36

2.950 15 3 2 1 30.27

2.931 11 3 0 2 30.47

2.836 3 3 1 2 31.52

2.796 2 4 0 0 31.98

2.751 1 2 0 3 32.52

2.673 2 2 1 3 33.50

2.636 2 3 3 0 33.98

2.609 1 4 1 1 34.34

2.596 2 3 2 2 34.52

2.503 9 4 2 0 35.85

2.420 7 4 2 1 37.12

2.413 9 3 0 3 37.24

2.357M 11 3 1 3 38.15

2.357M 4 1 2 38.15

2.305 6 3 3 2 39.04

2.2145M 12 3 2 3 40.71

2.2145M 4 2 2 40.71

2.1944 7 5 1 0 41.10

2.1787 15 4 3 1 41.41

2.1388 3 5 1 1 42.22

2.0948 1 4 0 3 43.15

2.0304 29 5 2 1 44.59

2.0011 3 3 0 4 45 . 28

1.9779 2 4 4 0 45.84

1.9195 8 5 3 0 47 . 32

1.8835 1 3 2 4 48.28

1.8813 2 5 3 1 48.34

1 o^c / 1

.

00 0 0 0 48.78

1 . 8264M 13 4 3 3 49.89

1 . 8264M 4 4 2 49.89

1.8088 1 4 0 4 50.41

77
strontium Chromium Oxide, SrCr207 - (continued)

o d(A) ^

L C J. a = ±2

hk£ 29(°)

1.8038 2 5 1 3 50.56

1.7795 6 5 3 2 51.30

1.7635 5 3 3 4 51.80

1.7367M 2 5 2 3 52.66

1.7367M 6 0 2 52.66

1.7203 4 4 2 4 53.20

1.6909 4 3 0 5 54.20

1.6585 2 6 2 2 55.35

1.6432 1 6 3 1 55.91

1.6185 4 3 2 5 56.84

1.5904 1 6 1 3 57.94

1.5829 2 7 1 0 58.24

1.5770 2 7 0 1 58.48

1.5547 1 4 1 5 59.40

1.5502 IL 1 1 6 59.59

1.5316 IL 6 4 1 60.39

1.5175 3 7 2 1 61.01

1.5150 IL 7 0 2 61.12

1.5015 1 7 1 2 61.73

1.4699 2 7 3 0 63.21

1 . 4524 6 7 3 1 64.06

78
strontium Chromium Oxide Hydrate, SrCr207-3H20

Synonym

1. Strontium dichromate trihydrate

Sample

The sample was prepared by adding SrCr04 to

a saturated solution of CrOs. Large red

crystals formed slowly.

Color

Unground, deep reddish brown,

deep orange.

Ground

,

Structure

Monoclinic, P2i/c (14), Z = 4. The crystallographic information was obtained on a single

crystal diff ractometer by V. Himes. The cell

parameters were confirmed by the Visser program

[1969] and by axial ratios given by Groth [1908],

assuming Z = 4 and a density near 2.6.

Lattice constants of this sample

a = 8.3583(12) A

b = 14.023(2)

c = 7.574(2)

P = 91.95(2)°

a/b - 0.5960

c/b = 0.5401

Volume o 887.22

Density

(calculated) 2.678 g/cm^

Figures of merit

F30 = 74.8 (0.010,40)

M20 = 38.4

Reference intensity

^^''corundum 1-0^(5)

References

Groth, P. (1908). Chemische Krystallographie

II (Wilhelm Engelmann, Leipzig, Germany) p. 593.

Visser, J. W. (1969). J. Appl. Crystallogr. 2, 89.

0 CuKOi A = 1 .540598 A; temp 25±1 °C

Internal standard Si, a = 5 .43088 A

d(A)

jrel hk£ 26(°)

0 = ±3

8 . 35 31 1 0 10.59

7.18 9 1

11 n Iz . 3

1

7 . 02 08 0 z- nu 12 . 60

6.67 4 0 1 1 13.27

5.368 9 1 2 0 16.50

5 . 286 25 -1 1 1 16.76

5 . 142M 10 0

0 17 . 23

5 . 142M 1

11 11 17.23

4.425 21 -1 2 1 20.05

4.337 20 1 . 2 1 20.46

/ 1 "7 0 4.178 100 z n z 1 . z5

/ A T n H . 0 /9 1 QJ0 1 "7 "7 Z 1 . / /

/ A A 1 4 . 00 1 £.0 z

1i 00 OA zz . zO

3.980 70 0 3 1 22.32

3.784 45 0 0 2 23.49

3 . 652 25 0

1

1 9 24 . 35

3.614 25 -

1

3 1 24 . 61

3.589M 10 2 9 riu 24. 79

3.589M -2 1 1 24.79

3.504 45 0 4 0 25.40

3 . 388 21 -1 I z9 26 . 28

3 . 307 4 1

11 9 ZD . 9h

3 . 282 3 -z 0c.

11 27.15

3.230 17 1 A nu 27.59

3.208 35 2 2 1 27.79

3. 181 7 0 4 1 28.03

3 . 128 4 -1 2 2 28.51

3 . 061 3 1 2 2 29 . 15 2.987 13 -

1

4 1 29 .89 2.958 14 1 4 1 30.19

2.907 13 -2 3 1 30.73

2.856M 15 2 3 1 31.29

2.856M -2 0 2 31.29

2.785 20 3 0 0 32. 11 2.752 7 1 3 2 32.51

2 731 6 3 1 0 32 76

2 706 20 2 1 2 33 08

2 686 9 2 4 0 33 33

2 657 10 1 5 0 33 70

2 597 15 -3 1 1 34 51

2 567 13 2 2 2 34 92

2 541 9 3 1 1 35 29

2 500 3 1 5 1 35 89

2 473M 7 -1 4 2 36 30

2 473M -3 2 1 36 30

79
strontium Chromium Oxide Hydrate, SrCr207'3H20 - (continued)

d(A)

,rel

hkS. 29(°)

±3

2 425 20 3 2 1 37 04

2 393 30 3 3 0 37 56

2 359 3 1 1 3 38 11 2 338 3 0 6 0 38 48

2 302M 9 -1 2 3 39 10

2 302M -3 3 1 39 10 2 263M 1 1 2 3 39 80

2 263M 3 3 1 39 80

2 233 4 0 6 1 40 36

2 212M 5 2 5 1 40 75

2 212M -2 4 2 40 75

2 186 4 -1 5 2 41 26

2 1662+ 25 2 4 2 41 66

2 1662+ -2 1 3 41 66

2 1036M 16 3 2 2 42 96

2 1036M 2 1 3 42 96

2 0879 10 4 0 0 43 30

2 0648 2 4 1 0 43 81

2 0492M 13 -3 3 2 44 16

2 0492M 0 4 3 44 16

2 0103 12 -4 1 1 45 06

2 0028M 21 -1 4 3 45 24

2 0028M 4 2 0 45 .24

1 .9767M 32 1 4 3 45 87

1 .9767M 3 5 0 45 .87

1 .9622 5 2 6 1 46 .23

1 .9376M 24 0 7 1 46 .85

1 .9376M 2 3 3 46 .85

80
Thiosemicarbazide, CH5N3S

Synonym

1 . Hydrazinecarbothioamide

CAS registry no. 79-19-6

Sample

The sample was obtained from J. T. Baker

Co., Phillipsburg, NJ. It was re- crystallized from ethanol.

Color

Colorless

Structure

Triclinic, PI (2), Z = 2. The structure

was determined by Andreetti et al. [1970].

Lattice constants of this sample

a = 6.0266(12) A

b = 7.327(2)

c = 4.9353(15)

a = 103.00(2)°

p = 96.33(2)

Y

= 77.21(2)

a/b - 0.8225

c/b = 0.6736

Volume o 206.65 A^

Density

(calculated) 1.465 g/cm^

Figure of merit

F30 = 40.9(0.015,50)

Reference intensity

^^'^corundum 2.56(11)

Additional pattern

1. PDF card 24-1952 [Institute of Physics,

University College, Cardiff, Wales]

Reference

Andreetti, G. D., Domiano, P., Gasparri, G. F.

,

Nardelli, M. , and Sgarabotto, P. (1970).

Acta Crystallogr. B26, 1005.

0 CuKfli A. = 1.540598 A; temp

.

25±1 °C

Internal standard W, a = 3

0 16524 A

0 d(A)

jrei hk£ 2e(°) a = +2

5.86 5 1 0 0 15.11

5.021 18 1 1 0 17.65

4.797 13 0 0 1 18.48

4.399 5 0 -1 1 20. 17

4 . 100 4

- 1 1 0 21 . 66

3.619 36 0 1 1 24.58

3.497 11 0 2 0 25.45

3.309 1 1 2 0 26.92

3.245 11 1 -1 1 27.46

3 . 163 100 2 1 1 28 . 19

3.082 7 -1 -2 1 28.95

3.008 8 -1 1 1 29.68

2.931 6 2 0 0 30.47

2.767 IL -1 2 0 32.33

2 . 685 I -2 -1 1

2.582 1 0 2 1 34.71

2.548 2 1 -2 1 35.19

2.527 4 -2 1 0 35.49

2.512 1 2 2 0 35.71

2 . 472 3 I 2 1

2.437M 2 -2 -2 1 36.86

2.437M 2 0 1 36.86

2.333 2 1 3 0 38.56

2.291 IL 0 -3 1 39.29

2 . 271M IL - 1 0 2 39 . 66

2.271M -1 2 1 39.66

2.202M 2 0 -2 2 40.95

2.202M -1 -2 2 40.95

2. 173 2 1 0 2 41.52

2.143 1 1 -1 2 42.13

2. 138 IL 0 1 2 42.23

2.051 2 -2 2 0 44.13

2.037 1 2 3 0 44.44

2.008 2 -2 -1 2 45.11

1.990 1 3 1 0 45.54

1 985 2 1 -3 1 45 66

1 945M 1 1 -2 2 46 66

1 945M 0 3 1 46 66

1 929 IL 1 3 1 47 06

1 925 IL -3 -1 1 47 18

81
Thiosemicarbazide, CH5N3S - (continued)

d(A)

,rel

a = ±2

hk£ 2e(°)

1 Q "7 "7M 1 T U

_ Q ~J z

1 877M 3 2 0 48 47

1 859 2 -3 -2 1 48 95

1 836 1 -2 2 1 49 61

1 811 1 0 2 2 50 35

1 oUZj 1 Z U z

1 7906 1 -3 1 0 50 96

1 7724M 2 3 0 1 51 52

1 7724M -1 3 1 51 52

1 7594+ 4 -2 -3 2 51 93

1 7594+ 1 2 2 51 93

1 7315 2 2 1 2 52 83

1 7034 IL -1 2 2 53 77

1 6907M IL -2 -4 1 54 21

1 6907M -3 -3 1 54 21

1 6741M 1 3 -1 1 54 79

1 6741M 3 3 0 54 79

1 6541 IL 3 2 1 55 51

1 6219M 1 -1 -1 3 56 71

1 6219M 2 -2 2 56 71

82
Thiourea, CH4N2S

Synonym

1. Thiocarbamide

CAS registry no. 62-56-6

Sample

The sample was obtained from J. T. Baker

Chemical Co., Phillipsburg, NJ. It was recrystallized from ethanol.

Color

Colorless

Structure

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

was first determined by Demeny and Nitta,

[1928]. It was later refined by Truter

[1957].

Lattice constants of this sample

a = 7.6644(12) A

b = 8.5591(12)

c = 5.4925(8)

a/b = 0.8955

c/b = 0.6417

Volume o

•

360.31 A^

Density

(calculated) 1.403 g/cm^

Figure of merit

F30 = 66.3(0.009,49)

Reference intensity

I/I , = 0.91(3) corundum

Additional pattern

1. PDF card 9-790 [Morse and Baun, Wright

Patterson Air Force Base, Ohio]

References

Demeny, L. and Nitta, I. (1928). Bull.

Chem. Soc. Japan 3, 128.

Truter, M. R. (1957). Acta Crystallogr.

10, 786.

O CuKOi \ = 1.540598 A ; temp 25±1 °C

standard uw, a --

- QJ

o 16524 A

o df At jrel hk£ a = ±2

4.624 9 0 1 1 19.18

4.467 70 1 0 1 19.86

4.279 100 0 2 0 20.74

3.834 0 1 AU

AU 23.18

3.498 53 2 1 0 25.44

3.142 65 2 0 1 28.38

3.089 66 1 2 1 28.88

2.951 24 2 1 1 30.26

2.855 nU 31.31

2.747 8 0 0 2 32.57

2.532M 28 2 2 1 35.43

2.532M 0 3 1 35.43

2.475 31 1 1 2 36.26

2.405 11 1 OJ

11 37.36

2.317 9 3 0 1 38.83

2.2885 3 2 3 0 39.34

2.1598 7 2 1 2 41.79

2.1393 2 0 4 0 42.21

2.1116 cJ

QJ 1 42.79

2.0369 8 3 2 1 44.44

1.9291 14 1 4 1 47.07

1.9164M 5 4 0 0 47.40

1.9164M 1 3 2 47.40

1.8683 y Z. A AU 48.70

1.8271 8 3 1 2 49.87

1.7902 7 0 1 3 50.97

1.7695M 11 4 1 1 51.61

1.7695M 2 4 1 51.61

1.7487 J n

U 52.27

1.7135 1 3 2 2 53.43

1.6883 1 0 4 2 54.29

1.6665 ITX Li A 9 11 55.06

1 . 6440 4 1 2 3 55.88

1.6346 2 0 5 1 56.23

1.6219 3 2 1 3 56.71

1.5716M 3 3 4 1 58.70

1.5716M 4 0 2 58.70

1.5643 4 3 3 2 59.00

83
Tin Chloride Hydrate, SnCl2'2H20

Synonym

1 . Stannous chloride dihydrate

CAS registry no. 10025-69-1

Sample

The sample was obtained from Fisher Scientific

Co., Fair Lawn, NJ.

Color

Colorless

Structure

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

structure of SnCl2*2H20 was determined

by Grdenic and Kamenar [I960].

Lattice constants of this sample

a = 9.318(3) A

b = 7.2571(14)

c = 8.973(2)

P = 114.89(2)°

a/b = 1.2840

c/b = 1.2365

Volume o 550.4 A^

Density

(calculated) 2.723 g/cm^

Figure of merit

F30 = 49.4 (0.012,49)

Reference intensity

I/I ^ = 1.50(2) corundum

Additional pattern

1. PDF card 20-1292 [University of Leeds,

Leeds, England]

Reference

Grdenic, D. and Kamenar, B.(1960). Proc.

Chem. Soc. 1960 , 312.

CuKai X = 1.540598 A; temp. 25±1 "C

o Internal standard Si, a = 5.43088 A

d(A) jrel

0 = ±8

hk£ 2e(°)

8.43 59 1 0 0 10.48

5.511 100 1 1 0 16.07

5.414 8 0 1 1 16.36

5.279 4 -1 1 1 16.78

4.483 1 -1 0 2 19.79

4.227 11 2 0 0 21.00

4.068M 19 1 1 1 21.83

4.068M 0 0 2 21.83

3.902 4 -2 1 1 22.77

3.810 53 -1 1 2 23.33

3.655 81 2 1 0 24.33

3.628 13 0 2 0 24.52

3.551 12 0 1 2 25.06

3.402 43 -2 1 2 26.17

3.334 8 1 2 0 26.72

3.181 8 1 0 2 28.03

2.953 6 2 1 1 30.24

2.912 5 1 1 2 30.68

2.819M 28 -1 2 2 31.72

2.819M 3 0 0 31.72

2.754M 20 -3 1 2 32.49

2.754M 2 2 0 32.49

2.709 60 0 2 2 33.04

2.642 34 -2 2 2 33.90

2.627 22 3 1 0 34.10

2.541 6 0 1 3 35.29

2.461 14 2 0 2 36.48

2.420 4 -3 1 3 37.12

2.392 19 1 2 2 37.57

2.327 24 1 3 0 38.67

2.318M 25 0 3 1 38.82

2.318M -4 0 2 38.82

2.303 25 -3 2 2 39.09

2.253 2 3 1 1 39.99

2.238 10 -2 0 4 40.26

2 225 2 3 2 0 40 51

2 206M 2 -4 1 2 40 87

2 206M 1 1 3 40 87

2 171 3 1 3 1 41 57

2 138 7 -2 1 4 42 24

2 130M 20 -3 0 4 42 41

2 130M -1 3 2 42 41

2 113 4 4 0 0 42 75

2 100 25 2 3 0 43 04

2 079 4 0 3 2 43 50

2 048 12 -2 3 2 44 18

2 035M 3 2 2 2 44 49

2 035M 0 0 4 44 49

1 960 10 0 1 4 46 29

1 953M 12 -4 2 2 46 47

84
n Chloride Hydrate, SnCl2'2H20 - (continued)

d(A)

j.rel a = ±8

hk£ 2e(°)

1 .953M 1 2 3 46.47

1.924M 4 -4 0 4 47.19

1 .924M 1 3 2 47.19

1 .905M 9 -3 3 1 47.71

1.905M -2 2 4 47.71

1 .894 10 3 1 2 47.99

1 .8766M 4 -1 3 3 48.47

1 .8766M 2 1 3 48.47

1.8618M 8 -4 1 4 48.88

1.8618M -4 2 3 48.88

1.8357M 9 -3 2 4 49.62

1.8357M 3 3 0 49.62

1 .8264 17 4 2 0 49.89

1.8142 17 0 ^^ 0 50.25

1.8061M 14 0 3 3 50.49

1.8061M -5 1 2 50.49

1.7734 8 1 4 0 51.49

1.7610M 6 -3 3 3 51.88

1.7610M -5 1 1 51.88

1.7246 8 2 3 2 53.06

85
Zirconium Silicide, ZrSi2

CAS registry no. 12039-90-6

Sample

The sample was prepared at NBS by R. F. Walker

and S. Y. Holley. The sample had a small amount

of Zr02 and Si present.

Major impurities

>1% Hf; 0.1 to 1.0 % kl; 0.01 to 0.1% each Fe,

Ni, and Ti; and 0.001 to 0.01% each Ca, Cr, and

Mn.

Structure

Orthorhombic , Cmcm (63), Z = 4 [Seyfarth, 1928].

The structure was redetermined by Schachner

et al. 11954] and by Vaughn and Bracuti [1958].

Lattice constants of this sample

a = 3.6958(3) A

b = 14.7514(9)

c = 3.6654(3)

a/b = 0.2505

c/b = 0.2485

Volume o 199.83 A^

Density

(calculated) 4.899 g/cm^

Figure of merit

F30 = 81.8(0.009,40)

Additional pattern

1. PDF card 10-236 (Cotter et al., 1956].

References

Cotter, P. G., Kohn, J. A., and Potter, R. A. (1956). J. Amer. Ceram. Soc. 39, 11. Schachner, H. , Nowotny, H. , and Kudielka, H. (1954). Monatsh. Chem. 85, 1140.

Seyfarth, H. (1928). Z. Kristallogr. KristalIgeometrie Kristallphys . Kristallchem. 67,

295.

Vaughn, P. A. and Bracuti, A. (1958). Diss.

Abstr. B. 19, 1217.

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

Internal standard W , a 3.16524 A

0 d(A)

j.rel

hkJd 2e(°) a = ±2

7 37 4 0 2 u iz . uu

3 685 9 0 4 0 24.13

3 586 15 1 1 0 24.81

3 283 32 0 2

11 07 1

A

2 954 15 1 3 U

2 601 1 0 4 1 J*» 'XL . AAHO

2 564 10 1 1 1 34.97

2 458 15 0 6 0 36.53

2 300 100 1 3

1 •^Q 1

A

j!7 . XH

2 0417 14 0 6 X AA W

1 9518 1 1 5 1 AAHO • AQH^

1 8480 11 2 0 0 49.27

1 8434 7 0 8 0 49.40

1 8330 14 0 0 £. AQ 7n

1 7782 IL 0 2 J

'^1 "^A X . jH

1 6519 2 2 4

A\J ^,0 JJ . J?

1 6473 7 0 8 1 55.76

1 6381 7 1 7 1 56.10

1 6322 6 1 1 0£.

1 6102 7 2 2

11 S7 16

1 5576 4 1 3

0 . AO

1 4982 6 1 9 0 61.88

1 4772 4 2 6 0 62.86

1 4692 5 0 6

0£^ 6^ 24

1 4346 6 1 5 £, UH . 7J

1 .3867 2 1 9 1 D / . AOH^

1 .3704 6 2 6 1 68.40

1 .3050 1 2 8 0 72.35

1 .3016 5 2 0

0£. f 4^ J /

1 .2603 1 1 11 n 7S ^S

1 .2296M 3 2 8 1 77 Sft

1 .2296M 0 12 0 77.58

1 .2269 3 2 4 2 77.78

1 .2051 1 0 2 79 46

1 .1923 2 1 11 1X

1 .1655 1 0 12 1X 519 OZ , 7Af H

1 .1641 1 3 1 1 82.86

1 .1602M 3 1 9 2 83.20

1 . 1602M 0 4 0J

.

1 .1502 2 2 6 no

1 .1361 6 3 3 1 85.38

1 .1291 4 1 3 3 86.04

1 .0998 IL 2 10 1 88.92

1 .0942 IL 0 6 3 89.50

1 .0849 IL 1 13 0 90.47

1 .0631 1 2 8 2 92.87

1 .0538 1 0 14 0 93.94

1 .0386 1 1 11 2 95.75

86
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1-10 and MONOGRAPH 25, SECTIONS 1-17, inclusive.

INORGANI

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) , AlCla-eHgO 7 3 Aluminum copper, AI4CU9 11m 79

Aluminum fluoride hydroxide silicate,

topaz, Al2(F, OH) 28104 Im 4 Aluminum iron antimony oxide, bahianite,

AI5. 66^60. 09Sb2.950l6 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 (corundum) , a-Al203 9 3 Aluminum oxide hydrate (boehmite),

C(-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

(ortho rhombic) 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, AI2 (804)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, AI^qV 15m 102

Aluminum vanadium, Aljo.as^ 15m 104

Aluminum vanadium, AI23V4 15m 106

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

Aluminum ytterbium, Al2Yb 15m 111

Aluminum yttrium, AI3Y 15m 112

Ammonium aluminum fluoride,

(NH4)3A1F6 9m 5

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

.

NAMES

Vol. or

Sec. Page

Ammonium aluminum selenate hydrate,

NH4Al(Se04)2-12H20 9m 6 Ammonium aluminum sulfate,

NH4A1(S04)2 10m 5 Ammonium aluminum sulfate hydrate

(tschermigite), NH4AI (804)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)4CdBr6 15m 9 Ammonium cadmium chloride, NH4CdCl3 5m 6 Ammonium cadmium sulfate,

(NH4)2Cd2 (804)3 7m 5 Ammonium cadmium sulfate hydrate,

(NH4)2Cd(S04)2-6H20 8m 5 Ammonium calcium sulfate,

(NH4)2Ca2(804)3 8m 7 Ammonium chlorate, NH4CIO4

(ortho rhombic) 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, NH4C0F3 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(804)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 Ammonium iodide, NH4I 4 56

Ammonium iridium chloride,

(NH4)2lrCl6 8 6

Ammonium iron chloride hydrate,

(NH4)2FeCl5-H20 14m 7 Ammonium iron fluoride, (NH4)3FeF6 9m 9 Ammonium iron sulfate, NH4Fe(804)2 10m 8

Ammonium iron sulfate hydrate,

NH4Fe(804)2-12H20 6 10

Ammonium lead chloride, (NH4)2PbCl6 11m 10

Ammonium magnesium aluminum fluoride,

NH4MgAlF6 10m 9 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

87
Vol. or

Sec. Page

Amtnonium manganese(II) fluoride,

NH4MnF3 5m 8 Ammonium manganese sulfate,

(NH4)2Mn2 (504)3 7m 8 Ammonium manganese sulfate hydrate,

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

Ammonium mercury chloride, NH4HgCl3 8m 14

Ammonium molybdenum oxide phosphate

hydrate, (NH4)3(Mo03)i2P04-4H20 .. 8 10

Ammonium nickel(II) 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)20sBre 3 71 Ammonium osmium chloride,

(NH4)20sCl6 Im 6 Ammonium palladium chloride,

(NH4)2PdCl4 6 6

Ammonium palladium chloride,

(NH4)2PdCl6 8 7 Ammonium platinum bromide,

(NH4)2PtBr6 9 6 Ammonium platinum chloride,

(NH4)2PtCl6 5 3 Ammonium potassium iron chloride

hydrate (kremersite)

,

(NH4,K)2FeCl5-H20 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 14m 9 Ammonium strontium sulfate,

(NH4)2Sr(S04)2 15m 11

Ammonium sulfate (mascagnite)

,

(NH4)2S04 9 8 Ammonium sulfate, (^4)28203 17m 11

Ammonium sulfate, (^4)28203 17m 13

Ammonium tellurium bromide,

(NH4)2TeBr6 8 5 Ammonium tellurium chloride,

(NH4)2TeCl6 8 8 Ammonium tin chloride, (NH4)2SnCl6 5 4 Ammonium titanium fluoride,

(NH4)2TiF6 16m 10

Ammonium vanadium oxide, NH4VO3 .. 8 9 Anmionium zinc chloride, (NH4)3ZnCl5 15m 12

Ammonium zinc fluoride, NH4ZaF3 ... 8m 18

Ammonium zirconium fluoride,

(NH4)3ZrF7 6 14

Antimonic acid, Hi4Sbi402i (0H)42 • • • 16m 13

Antimony, Sb 3 14

Antimony bromide, a-SbBr3 15ra 13

Antimony cerium, CeSb 4m 40

Antimony cobalt, CoSb 15m 121

Antimony cobalt, CoSb2 15m 122

Antimony cobalt titanium, CoSbTi... 15m 124

Antimony cobalt vanadium, CoSbV. . . . 15m 125

Antimony dysprosium, DySb 4m 41

Antimony erbium, ErSb 4m 41

Antimony(III) fluoride, SbFa 2m 4

Vol. or

Sec. Page

Antimony gadolinium, GdSb 4m 42

Antimony gallium, GaSb 6 30

Antimony gold (aurostibite) , AuSb2 7 18

Antimony indium, InSb 4 73

Antimony (III) iodide, Shl^ 6 16

Antimony iron titanium oxide

hydroxide, derbylite,

SbFe4Ti30i3(0H) 16m 89

Antimony lanthanum, LaSb 4m 42

Antimony neodymium, NdSb 4m 43

Antimony(III) oxide (senarmontite)

,

Sb203 (cubic) 3 31

Antimony(IlI ) oxide, valentinite,

Sb203 (orthorhombic) 10 6 Antimony(lV) oxide (cervantite)

,

Sb204 10 8 Antimony (V) oxide, Sb205 10 10

Antimony oxide, SbgOjs 16m 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)

,

AgaSbSs (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 16m 15

Antimony ytterbium, SbYb 4m 45

Antimony yttrium, SbY 4m 46

Arsenic, As 3 6

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 arsenate, Ba3(As04)2 2m 6

Barium borate, BaB407 4m 6

Barium borate, high form, BaB204 .. 4m 4

Barium borate, BaBgOis 7m 10

Barium bromate hydrate,

Ba(Br03)2-H20 • 8m 19

Barium bromide, BaBr2 10m 63

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

Barium bromide hydrate, BaBr2'H20 3m 10

Barium bromide hydrate, BaBr2'2H20 16m 16

Barium cadmium chloride hydrate,

BaCdCl4-4H20 15m 14

Barium calcium nitrate,

Ba.25Ca.75(N03)2 12>n 38

Barium calcium nitrate,

Ba.5oCa.5o(N03)2 12m 38

Barium calcium nitrate,

Ba.75Ca.25(N03)2 12m 38

Barium calcium tungsten oxide,

BagCaWOg 9m 10

88
Vol. or

Sec. Page

Barium carbonate (witherite), BaCOs

(orthorhombic) 2 54

Barium carbonate, BaCOs (cubic)

at 1075 °C 10 11

Barium chlorate, Ba(C103)2 16m 17

Barium chlorate hydrate,

Ba(C104)2-3H20 2m . 7 Barium chlorate hydrate,

Ba(C103)2-H20 8ra 21

Barium chloride, BaCl2, (cubic) ... 9m 13

Barium chloride, BaCl2,

(orthorhombic) 9m 11

Barium chloride fluoride, BaClF ... lOm 11

Barium chloride hydrate, BaCl2*2H20 12m 9 Barium chromium oxide,

Ba3(Cr04)2 15m 16

Barium fluoride, BaF2 1 70

Barium hydroxide phosphate,

Ba5(0H)(P04)3 11m 12

Barium iodide, Bal2 10m 66

Barium iodide hydrate, Bal2''2H20. . . 16m 18

Barium lead chloride, BaPbCl4 11m 13

Barium lead nitrate,

Ba,33Pb.67(N03)2 12m 40

Barium lead nitrate,

Ba,67Pb.33(N03)2 12m 40

Barium manganese oxide,

Ba(Mn04)2 15m 17 Barium molybdenum oxide, BaMo04 ... 7 7 Barium molybdenum oxide, Ba2Mo05 .. 12ra 10

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) 16m 19

Barium phosphate, Ba3(P04)2 12m 12

Barium selenide, BaSe 5m 61

Barium silicate, p-BaSi03 13m 8

Barium silicate (sanbornite)

,

p-BaSigOs 13m 10

Barium silicate, Ba2Si04 13m 12

Barium silicate, Ba2Si308 13m 13

Barium silicate, Ba3Si05 13m 15

Barium silicate, Ba3Si50i3 13m 17

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

Ba.25Sr.75(N03)2 12m 42

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,

BaS203-H20 16m 20

Barium tin oxide, BaSnOs 3m 11 Barium titanium oxide, BaTiOs 3 45

Barium titanium silicate (f resnoite)

,

Ba2TiSi208 9m 14

Barium tungsten oxide, BaW04 7 9 Barium tungsten oxide, Ba2W05 12m 14

Barium vanadium oxide, Ba3(V04)2 • 14m 10

Barium zirconium oxide, BaZr03 .... 5 8 Beryllium, alpha, Be 9m 64

Vol. or Sec . Page

Beryllium aluminum oxide

(chrysoberyl), BeAl204 9 10

Beryllium aluminum silicate, beryl,

Be3Al2(Si03)6 9 13

Beryllium calcium iron magnesium

aluminum phosphate hydroxide

hydrate, roscherite (monoclinic)

,

Be2Ca(Fe.3Mg.7)2A1.67(P04)3(0H)3-2H20 16m 96

Beryllium calcium manganese

aluminum iron phosphate hydroxide

hydrate, roscherite (triclinic),

Be4Ca2(Mn3,9iMg,04Ca.05)(Al.i3l'e.42

Mn,i2)(P04)6(0H)4-6H20 16m 100

Beryllium calcium oxide,

Bei7Cai2029 7m 89

Beryllium chromium oxide, BeCr204 10 12

Beryllium cobalt, BeCo 5m 62

Beryllium germanium oxide, Be2Ge04 10 13

Beryllium lanthanum oxide, Be2La205 9m 65

Beryllium niobium, Be2Nb 7m 92

Beryllium oxide (bromellite) , BeO 1 36

Beryllium palladium, BePd 5m 62

Beryllium silicate, phenakite,

Be2Si04 8 11 Beryllium sulfate, BeS04 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, BiEr 4m 47

Bismuth fluoride, BiF3 Im 7 Bismuth holmium, BiHo 4m 48

Bismuth(III) iodide, Bil3 6 20

Bismuth iodide oxide, BiOI 9 16

Bismuth lanthanum, BiLa 4m 48

Bismuth neodymium, BiNd 4m 49

Bismuth oxide (bismite), 0(-Bi203 .. 3m 16

Bismuth phosphate, BiP04

(monoclinic) 3m 11

Bismuth phosphate, BiP04 (trigonal) 3m 13

Bismuth praseodymium, BiPr 4m 49

Bismuth sulfide (bismuthinite)

,

Bi2S3 5m 13

Bismuth telluride, BiTe 4m 50

Bismuth telluride (tellurobismuthite), Bi2Te3 3m 16

Bismuth vanadium oxide, low form,

BiV04 (tetragonal) 3m 14

Bismuth vanadium oxide, high form,

BiV04 (monoclinic) 3m 14

Boron oxide, B2O3, phase 1 10m 70

Cadmium, Cd 3 10

Cadmium ammine chloride,

Cd(NH3)2Cl2 10m 14

Cadmium borate, CdB407 16m 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

89
Cadmium copper, CdgCus

Cadmium cyanide, Cd(CN)2

Cadmium fluoride, CdF2

Cadmium iron oxide, CdFe204

Cadmium lanthanum, CdLa

Cadmium manganese oxide, CdMn204 .. Cadmium molybdenum oxide, CdMo04 .. Cadmium nitrate hydrate,

Cd(N03)2-4H20

Cadmium oxide , CdO

Cadmium oxide, CdO (ref. standard)

Cadmium phosphate, Cd2P207

Cadmium phosphate, Cd3(P04)2

Cadmium praseodymium, CdPr

Cadmium selenide (cadmoselite)

,

CdSe (hexagonal)

Cadmium silicate, Cd2Si04

Cadmium silicate, Cd3Si05

Cadmium sulfate, CdS04

Cadmium sulfate hydrate,

3CdS04-8H20

Cadmium sulfate hydrate, CdS04-H20

Cadmium sulfide (greenockite) , CdS

Cadmium telluride, CdTe

Cadmium titanium oxide, CdTi03 .... Cadmium tungsten oxide, CdW04

Calcium, Ca Calcium aluminum germanium oxide,

Ca3Al2(Ge04)3

Calcium aluminum hydroxide,

Ca3Al2(0H)i2

Calcium aluminum iron oxide

(brownmillerite) , Ca4Al2Fe20io . . .

.

Calcium aluminum oxide, Ca3Al206 .. Calcium aluminum oxide (mayenite)

,

Cai2Ali4033

Calcium alumiuiun sulfate hydrate

(ettringite) , Ca6Al2S30ig -SlHgO .. Calcium borate, CaB204

Calcium borate hydrate,

hexahydroborite, Ca[B(0H)4]2-2H20

Calcium boride, CaBg

Calcium bromide, CaBr2

Calcium bromide hydrate, CaBr2*6H20

Calcium carbonate (aragonite),

CaCOs (ortho rhombic)

Calcium carbonate (aragonite)

,

CaC03 (orthorhombic , calculated

pattern)

Calcium carbonate (calcite),

CaCOs (hexagonal)

Calcium chloride (hydrophilite)

,

CaCl2

Calcium chloride fluoride, CaClF .. Calcium chloride hydrate,

CaCl2-4H20

Calcium chloride hydrate

(antarcticite) , CaCl2*6H20

Calcium chromium germanium oxide,

Ca3Cr2(Ge04)3

Calcium chromium iron titanium

oxide, loveringite, Ca_72RE_33(Y,

Th,U,Pb) _05Tii2 .48Fe3,38Cr2 .24 Mg.92Zr.58Al_39V_2iMn,04038

Calcium chromium oxide (chromatite)

,

CaCr04

Calcium chromium oxide, Ca3(Cr04)2

Vol. or Vol. or Sec

.

x age Sec

.

Irage

11m 81 Calcium chromiuin silicate

2m 8 (uvarovite ) Ca3Cr2(Si04)3 . 10 17 10m 15 Calcium fluoride (fluorite) , CaF2-

«

1 69

9m 16 CalciujD fluoride phosphate

5m 63 (f luorapatite) , CacF(POa")o 3m 22

10m 16 PAlniim fliirn'iHp nhn«5Tih;il'p \\ vH ta 1"

p

6 21 CaFP03*2H20 15m 24

Ca 1 c i urn §3 1 1 ium ge miaui um oxide j 7m 93 CaoGao ( GeO^ o 10 18

2 27 Calcium hydrogen phosphate hydrate

,

8m 2 CaoHo CPO^ -SHoO 13m 21

16m 26 P^lpTiim hv(iT"ncxpn nhriQ'nhjit'P ^iil'Fst'p

16m 27 hydrate , Ca2HP04S04 •4H2O 16m 109

5m 64 a. _i_ v_ i Luii XX y \A L ^/\ X v-i ^ ^ ^ l l a xxvx l- j y Ca(0H)2 1 58

7 12 1 n' 1 im infl;^1'p ri;iiit"3T~"i1"Pi 13m 19 Ca(IOo)o 14m 12

13m 20 Pill \_tCl X Piiifn V- J. Ulll ir^H3l"p A- KJ \1 d l_ cr h'uHi'jil'p LlYUi.ClL.Cj 3m 20 Ca(IOc)o •6H0O 14m 13

P;^lpinm X V. J. UJIl I'mn XI.UII gdXlllClilX op tth annumUlU nvifip LJ A J.

y 6m 8 Ca oFeo ( GeOy* )o 10 19

6iii 10 ^d X ^ X LU£1 L \J LL OXXJ_v..uirC Uvl 1. O U X J y 4 15 9 22

3m 21 Calcium iron silicate

15m 21 hydroxide , julgoldite

,

2m 8 CaoFeoSioOi n(0H,0)9 (0H)o 10m 72

9m 68 Pplpiiim u u J. V. X LUIl IpaH ni1'T*Al"P llXI-Xul-C y Ca QoPb cTfNOQ)^ 12m 44

10 PalpTiim V_i d X \_ J. Lull IpjtH XCdLl n"i1'v3l"p llXL.i.Cll-CIj Ca e-rPb QofNOolo 12m 44

11m 16 PaIpiiitii \jO X V- X mil in^ionp<;inm Ilia o X LUii ^ilipsl'p oxxx\..cil-c fdi onsi dp^ CaMefSi O-.l o 5m 17 16m 28 Calcium molybdenum oxide

5 10 ( nowel 1 i te 1 PaMoO^ 6 22

P;^lniim m'tratp Pj^fNOo^o 7 14

9 20 Ca 1 c ium oxide (lime) CaO 1 43

Calcium oxide (lime), CaO

8 3 14m 49

15m 136 Paln'iim WO. X L^ X LUli nvi/ip \J A _1_ V_l L^ nhn^rjh;i1"P ^LA.\J O JL/ lldw^j CV.* ^CJ. ^Oi PO * i o ^ v \ X 4 y V 12m 17 Ca 1 c ium phosphate p~Ca2P2^7 7m 95

16m 104 Palpium g X L- X LIJ U nl;i1"Tniini L/ X Cl X llLLUl riViHp L^AXUC P;i^Pl"n/*

y ViO^X i-WC • . > 10m 18

16m 29 5m 64

11m 70 PalpTiim \^ a X L. X LXiU d'T*nn1'"iiini O I' X VJ LI L. X LUII n"it"T*3t"p 11 X L. X d L'C y 8 15 Ca ooSr c'7fN0o^o 12m 46

Calcium strontium nitrate,

3 53 12m 46

Calcium sulfate (anhydrite), CaS04 4 65

Calcium sulfate hydrate (gypsum)

,

14m 44 CaSO^ •2HoO 17m 16

Calcium sulfide (oldhamite) , CaS .

.

7 15

2 51 P;i1pinTTi 1'pIIiit'iHp PsTp 4m 50

P;i1piiirn t" "i n nviHp PaSdOo . ... 17m 18

11m 18 P^ilriiim O d X ^ X 1 11 1 1^ 1X 1Wi^ni O- M-L Xiim LUii oxide \^ n X VX V.- 10m 17 9m 17

P;^1p'iiim f"nnoQt'pn nvidp PaoWO

e

L^ d X L. X Mill LA-ll g O L. ^11 ^\ XVl^, wCl^TT w ^ « • « • 9m 19

11m PalpTiim d X ^ X Lull 1'iinoQt'pn U LLlig audi avtHp L'AXLICr, QPnPPlT't'P O L.IXC C X X L>C y CpWO.. 6 23

12m 16 P?i T'hnn Hiamnnd P 2 5 4m 8 10 16 Ceriiam(III) chloride CeCls Im 8 13m 50

13m 51

Ppfiiim pmrnPT" PpPii*? 7m 99

16m 106 fen utnCT IT 1 fluoride CeF-j 8 17

13m 54

7 13 5m 65

15m 22 13m 56

90
Vol. or

Sec. Page

Cerium nickel, CeNi2 13in 58

Cerium niobium titanium oxide

(aeschynite) , CeNbTiOe 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 thallium, CeTl 13m 59

Cerium thallium, CeTls 13m 60

Cerium thallium, Ce^Tl 13m 61

Cerium(III) vanadium oxide, CeV04 Im 9 Cerium zinc, CeZn 5m 65

Cerium zinc, CeZn^ 14m 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 .. 14m 58

Cesium chlorate, CSCIO3 8 20

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, CSCUCI3 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 (304)2 •I2H2O 8 23

Cesium germanium fluoride, Cs2GeF6 5 17 Cesium iodate, CSIO3 15m 26

Cesium iodide, Csl 4 47

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(ll) chloride, CsPbCls

(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

Vol. or

Sec. Page

Cesium magnesium chromium oxide

hydrate, Cs2Mg(Cr04)2 •6H2O 8m 29

Cesium magnesium sulfate hydrate,

Cs2Mg(S04)2-6H20 7m 18

Cesium manganese fluoride, CsMnFs 10m 21

Cesium manganese sulfate hydrate,

Cs2Mn(S04)2-6H20 7m 20

Cesium mercury chloride, CsHgCls .. 7m 22

Cesium nickel(II) chloride, CsNiCls 6m 12

Cesium nickel sulfate hydrate,

Cs2Ni(S04)2-6H20 7m 23

Cesium nitrate, CSNO3 9 25

Cesium osmium(IV) bromide, Cs20sBr6 2m 10

Cesium osmium chloride, Cs20sCl6 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, Cs2TeBr6 9 24

Cesium tin chloride, Cs2SnCl6 5 16

Cesium vanadium sulfate hydrate,

CsV(S04)2'12H20 Im 11

Cesium zinc sulfate hydrate,

Cs2Zn(S04)2*6H20 7m 25

Chromium, Cr 5 20

Chromium boride, ^-CrB 17m 22

Chromium chloride, CrCl2 11m 77 Chromium chloride, CrCl3 17m 23

Chromium chloride hydrate, CrCl3'6H20 16m 31

Chromium cobalt niobium, CoCrNb . . . 15m 140

Chromium cobalt silicide,

CogCrisSie 14m 62

Chromium cobalt tantalum, CoCrTa . . 15m 142

Chromium fluoride, CrF2 10m 81

Chromium fluoride, Cr2F5 7m 108

Chromium(lII) fluoride hydrate,

CrF3-3H20 5m 25

Chromium iridium, CrsIr 6m 14

Chromium iron oxide,

Cri. 3^60,703 17m 24

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, Cr3Rh 6m 15

Chromium silicide, CrsSi 6 29

Chromium sulfate, Cr2(S04)3 16m 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 arsenide, C0AS2 4m 10

Cobalt arsenide (skutterudite)

,

C0AS3 10 21

Cobalt borate, Co3(B03)2 12m 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, C0CI2 '21120 11m 22

Cobalt chloride hydrate, CoCl2'6H20 11m 23

91
Vol. or

Sec. Page

Cobalt chroraium oxide, CoCr204 .... 9ni 21

Cobalt copper tin, CoCu2Sn 14in 64

Cobalt dysprosium, Co2Dy 13m 63

Cobalt erbium, Co2Er 13m 64

Cobalt erbium, Co7Er2 13m 65

Cobalt fluoride, C0F2 10m 85

Cobalt fluoride hydrate, C0F2 -41120 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 . . . 14m 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 14m 67

Cobalt germanium, CosGey 15m 148

Cobalt germanium hafnium,

CoieGeyHfe 14m 69

Cobalt germanium manganese,

Co2GeMn 13m 79

Cobalt germanium niobium,

C01.5Geo.5Nb 15m 150

Cobalt germanium niobium,

CoiGGe7Nb6 14m 71

Cobalt germanium oxide, Co2Ge04 ... 10 27

Cobalt germanium tantalum,

C01.5Geo.5Ta 15m 152

Cobalt germanium tantalum,

CoieGeyTae 14m 73

Cobalt germanium titanium, Co2GeTi 13m 80

Cobalt hafnium tin, Co2HfSn 14m 75

Cobalt holmium, C02H0 14m 76

Cobalt holmium, C09.2H012 15m 154

Cobalt hydroxide, p-Co(0H)2 15m 29

Cobalt indium. Coins 13m 81

Cobalt iodide, C0I2 4m 52

Cobalt iron arsenide

(safflorite) , CoFeAs4 10 28

Cobalt iron oxide, CoFe204 9m 22

Cobalt iron sulfide, CogFeSg 14m 77 Cobalt iron vanadium,

C04.35Fe13.47V12.i8 14m 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 14m 82

Cobalt molybdenum, C02M03 15m 158

Cobalt molybdenum, C07M06 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

Vol. or

Sec. Page

Cobalt (II) oxide, CoO 9 28

Cobalt(II,III) oxide, C03O4 9 29

Cobalt phosphate, Co(P03)2 13m 23

Cobalt phosphide, CoP 14m 83

Cobalt phosphide, C0P3 14m 85

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 14m 89

Cobalt Plutonium, C02PU 14m 91

Cobalt Plutonium, C03PU 14m 92

Cobalt Plutonium, C017PU2 14m 94

Cobalt praseodymium, Co2Pr 14m 97

Cobalt rhodium sulfide, CogRhSg 14m 98

Cobalt ruthenium sulfide, CogRuSg.. 14m 100

Cobalt samarium, Co2Sm 15m 173

Cobalt samarium, CosSm 13m 90

Cobalt silicate, Co2Si04

(orthorhombic) 4m 11

Cobalt silicon fluoride hydrate,

CoSiF6-6H20 3m 27

Cobalt sulfate, p-CoS04 2m 14

Cobalt tantalum silicide,

Coi6Ta6Si7 14m 102

Cobalt thorium, Coi7Th2 12m 64

Cobalt tin, Co3Sn2 13m 92

Cobalt tin oxide, Co2Sn04 15m 30

Cobalt tin vanadium, Co2SnV 15m 174

Cobalt tin zirconium, Co2SnZr 15m 175

Cobalt titanium oxide, CoTiOs 4m 13

Cobalt titanium silicide,

CoieTieSi? 14m 104

Cobalt tungsten oxide, C0WO4 4m 13

Cobalt vanadium silicide, Co2VSi .. 15m 176

Copper, Cu 1 15

Copper ammine selenate,

Cu(NH3)4Se04 10m 87

Copper ammine sulfate hydrate,

Cu(NH3)4S04-H20 10m 90

Copper antimony oxide , CuSbjOe • • • • 5m 27

Copper arsenate (trippkeite)

,

CUAS2O4 16m 120

Copper (I) bromide, CuBr 4 36

Copper(I) chloride (nantokite),

CuCl 4 35

Copper fluoride hydrate, CuF2'2H20 11m 25

Copper hydrogen phosphite hydrate,

CuHP03-2H20 11m 83

Copper hydroxide carbonate,

azurite, Cu3(0H)2(C03)2 10 30

Copper hydroxide carbonate

(malachite), Cu2(0H)2C03 10 31

Copper hydroxide phosphate

(libethenite) , Cu2(0H)P04 17m 30

Copper(I) iodide (marshite) , Cul .. 4 38

Copper lead hydroxide sulfate,

linarite, CuPb (OH) 2(864) 16m 34

Copper(I) oxide (cuprite), CU2O ... 2 23

Copper(II) oxide (tenorite), CuO .. 1 49

Copper phosphate, Cu(P03)2 l^m 15

Copper phosphate, a-Cu2P207 7m 113

Copper sulfate (chalcocyanite)

,

CUSO4 3m 29

92
Copper(II) sulfide (covellite), CuS

Copper uranium oxide, CUUO4

Dichlorotetraaquochromium (III)

chloride dihydrate, [Cr(H20)4Cl2]

Cl-ZHgO

Dysprosium arsenate, DyAs04

Dysprosium arsenide, DyAs

Dysprosium gallium oxide,

Dy3Ga50i2

Dysprosium gold, DyAu

Dysprosium nitride, DyN

Dysprosium oxide, Dy203

Dysprosium silver, DyAg

Dysprosium telluride, DyTe

Dysprosium vanadium oxide, DyV04 .. Erbium arsenate, ErAs04

Erbium arsenide, ErAs

Erbium gallium oxide, Er3Ga50i2 ••• Erbium manganese oxide, ErMnOs .... Erbium nitride, ErN

Erbium oxide, Er203

Erbium phosphate, ErP04

Erbium silver, ErAg

Erbium telluride, Erie

Erbium vanadium oxide, ErV04

Europium arsenate, EUASO4

Europium(lII) chloride, EUCI3

Europium chloride oxide, EuClO .... Europium gallium oxide,

Eu3Ga50i2

Europium nitride, EuN

Europium oxide, EuO

Europium phosphate, EUPO4

Europium(III) vanadium oxide, EUVO4

Gadolinium arsenate, GdAs04

Gadolinium arsenide, GdAs

Gadolinium chloride hydrate,

GdCl3-6H20

Gadolinium chloride oxide, GdClO .. Gadolinium fluoride, GdFs

Gadolinium gallium oxide,

Gd3Ga50i2

Gadolinium indium, Gdin

Gadolinium nitride, GdN

Gadolinium oxide, Gd203

Gadolinium silver, GdAg

Gadolinium titanium oxide, Gd2Ti05

Gadolinium vanadium oxide, GdV04 .. Gallium, Ga

Gallium arsenide, GaAs

Gallium lutetium oxide, Ga5Lu30i2

Gallium magnesium, Ga2Mg

Gallium magnesium, Ga5Mg2

Gallium neodymium oxide, Ga5Nd30]^2

Gallium oxide, oi-Ga203

Gallium phosphate (a^quartz type),

GaP04

Gallium phosphate hydrate,

GaP04-2H20

Gallium samarium oxide, Ga5Sm30i2

Gallium ytterbium oxide, Ga5Yb30i2

Gallium yttrium oxide, Ga5Y30x2 ... Germanium, Ge

Germanium iodide, Gel2

Germanium(IV) iodide, Gel4

Germanium oxide, Ge02 (hexagonal)

(low form)

Vol. or Vol. or

Sec. Page Sec. Page

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93
Vol. or

Sec. Page

Lanthanum arsenide, LaAs 4tn 60

Lanthanum borate, LaBOs Im 20

Lanthanum chloride, LaCls Im 20

Lanthanum chloride oxide, LaClO ... 7 22

Lanthanum fluoride, LaF^ 7 21

Lanthanum magnesium, LaMg 5m 69

Lanthanum nickel platinum,

LaNio.25Pt4,75 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) .. 16m 40

Lead bromide oxide, Pb302Br2 5m 32

Lead carbonate (cerussite), PbCOs 2 56

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

Lead chloride fluoride (matlockite)

,

PbClF 13m 25

Lead chromium oxide, Pb2Cr05 14m 16

Lead fluoride, a-PbF2

(orthorhombic) 5 31

Lead fluoride, p-PbFg (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(I03)2 17m 45

Lead(Il) 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, Pb505S04 10m 27

Lead selenide (clausthalite) , PbSe 5 38

Lead strontium nitrate,

Pb.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, PbsUOe 8m 109

Lithium aluminum fluoride,

a-LigAlFs 8m 111

Lithium arsenate, Li3As04 2m 19

Lithium azide, LiN3 8m 113

Vol. or

Sec. Page

Lithium barium fluoride, LiBaF3 ... 5m 35

Lithium beryllium fluoride, Li2BeF4 7m 126

Lithium borate, Li2B407 Sm 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

Lithium hydroxide, LiOH 17m 46

Lithium hydroxide hydrate, LiOH'H20 11m 92

Lithium iodate, Lil03 (hexagonal) 7 26

Lithium iodate, Lil03 (tetragonal) 10m 33

Lithium molybdenum oxide, Li2Mo04

(trigonal) Im 23

Lithium niobium oxide, LiNbOs 6m 22

Lithium nitrate, LiNOs 7 27

Lithium oxide, Li20 Im 25

Lithium phosphate hydrate,

Li3P309-3H20 2m 20

Lithium phosphate, low form

(lithiophosphate) , Li3P04 4m 21

Lithium phosphate, high form,

Li3P04 3m 39

Lithium potassium sulfate, KLiS04 3m 43

Lithium rubidium fluoride, LiRbF2 7m 128

Lithium selenide, Li2Se 10m 100

Lithium silicate, Li2Si03 14m 19 Lithium silver bromide,

Li.aAg.sBr 12m 55

Lithium silver bromide,

Li.4Ag.6Br 12m 55

Lithium silver bromide,

Li.6Ag.4Br 12m 55

Lithium silver bromide,

Li.8Ag.2Br 12m 55

Lithium sodium aluminum fluoride,

cryolithionite , Li3Na3Al2Fi2 9m 23

Lithium sodium sulfate, LiNaS04 ... 6m 24

Lithium sulfate, Li2S04 6m 26

Lithium sulfate hydrate,

Li2S04-H20 4m 22

Lithium sulfide, Li2S 10m 101

Lithium tantalum oxide, LiTaOs 14m 20

Lithium telluride, Li2Te 10m 102

Lithium tin oxide, Li2Sn03 16m 45

Lithium tungsten oxide, Li2W04

(trigonal) Im 25

Lithium tungsten oxide hydrate,

Li2W04-0.5H20 2m 20

Lithium uranium fluoride, LiUFs ... 7m 131

Lutetium arsenate, LUASO4 5m 36

Lutetium manganese oxide, LuMnOs .. 2m 23

Lutetium nitride, LuN 4m 62

Lutetium oxide, LU2O3 Im 27

Lutetium vanadium oxide, LUVO4 .... 5m 37

Magnesium, Mg 1 10

Magnesium aluminum oxide (spinel),

MgAl204 9m 25

Magnesium aluminum silicate (low

cordierite), Mg2Al4Si50i8

(orthorhombic) Im 28

94
Vol. or

Sec. Page

Magnesium aluminum silicate

(indialite) Mg2Al4Si50i8

(hexagonal) Im 29

Magnesium aluminum silicate

(pyrope), Mg3Al2(Si04)2 4m 24

Magnesium borate, MgB407 17m 47

Magnesium borate, Mg2B205

(triclinic) 4m 25

Magnesium bromide, MgBr2 4m 62

Magnesium bromide hydrate,

MgBr2-6H20 11m 35

Magnesium carbonate (magnesite),

MgCOg 7 28

Magnesium cerium nitrate hydrate,

Mg3Ce2(N03)i2-24H20 10 20

Magnesium chlorate hydrate,

Mg(C104)2-6H20 7m 30

Magnesium chloride (chloromagnesite), MgCl2 11m 94

Magnesium chloride hydrate,

MgCl2-12H20 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), Mg7F2Si30i2 Im 30

Magnesium fluoride silicate

(norbergite) , Mg3F2Si04 10 39

Magnesium gallium oxide, MgGa204 .. 10 36

Magnesium germanium oxide,

Mg2Ge04 (cubic) 10 37

Magnesium germanium oxide,

Mg2Ge04 (orthorhombic) 10 38

Magnesium hydrogen phosphate

hydrate, newberyite, MgHP04-3H20 7m 139

Magnesium hydroxide (brucite),

Mg(0H)2 6 30

Magnesium iodate hydrate,

Mg(I03)2-4H20 17m 48

Magnesium iron hydroxide carbonate

hydrate, pyroaurite,

Mg6Fe2(0H)i6C03-4H20 (rhomb.) 10m 104

Magnesium iron hydroxide carbonate

hydrate, sjogrenite,

Mg6Fe2(0H)i6C03-4H20, (hexag.) ... 10m 103

Magnesium lanthanum nitrate

hydrate, Mg3La2 (NO3) 12 '241120 Im 22

Magnesium manganese oxide, MgMn204 10m 35

Magnesium mercury, MgHg 6m 84

Magnesium molybdenum oxide, MgMo04 7m 28

Magnesium nickel oxide, MgNi02 .... 10m 36

Magnesium oxide (periclase), MgO .. 1 37

Magnesium phosphate, Mg(P03)2 13m 26

Magnesium phosphate, a-Mg2P207 .... 9m 73

Magnesium selenide, MgSe 5m 70

Magnesium selenite hydrate,

MgSe03-6H20 8m 116

Magnesium silicate, enstatite,

MgSiOs 6 32

Magnesium silicate (forsterite)

,

Mg2Si04 1 83

Magnesium sulfate hydrate

(kieserite), MgS04-H20 16m 46

Vol. or

Sec. Page

Magnesium sulfate hydrate

(epsomite), MgS04'7H20 7 30

Magnesium sulfide, MgS 7 31

Magnesium sulfite hydrate,

MgS03-6H20 9m 26

Magnesium tin, Mg2Sn 5 41

Magnesium tin oxide, Mg2Sn04 10m 37

Magnesium titanium oxide

(geikielite), MgTi03 5 43

Magnesium titanium oxide, Mg2Ti04 12m 25

Magnesium tungsten oxide, MgW04 ... 13m 27

Manganese, a-Mn (calculated pattern) 7m 142

Manganese, a-Mn 17m 50

Manganese aluminum oxide (galaxite)

,

MnAl204 9 35

Manganese bromide, MnBr2 4m 63

Manganese(II) carbonate

(rhodochrosite) , MnCOs 7 32

Manganese chloride (scacchite),

MnCl2 8m 43

Manganese chloride hydrate,

MnCl2-2H20 11m 38

Manganese chloride hydrate,

MnCl2-4H20 9m 28

Manganese cobalt oxide, MnCo204 ... 9m 30

Manganese fluoride, MnF2 10m 105

Manganese iodide, Mnl2 4m 63

Manganese iron oxide (jacobsite),

MnFe204 9 36

Manganese(II) oxide (manganosite)

,

MnO 5 45

Manganese oxide (pyrolusite) , p-Mn02 10m 39

Manganese oxide (bixbyite), a-Mn203 11m 95

Manganese oxide (hausmannite)

,

Mn304 10m 38

Manganese oxide hydroxide, groutite,

a-MnOOH 11m 97

Manganese phosphate, Mn(P03)2 14m 21

Manganese phosphate, Mn2P207 15m 41

Manganese phosphate, Mn3(P04)2 .... 16m 47

Manganese selenide, MnSe 10 41

Manganese sulfate hydrate

(szmikite), MnS04'H20 16m 49

Manganese sulfide (alabandite)

,

a-MnS 4 11

Manganese titanium oxide

(pyrophanite) , MnTi03 15m 42

Manganese (II) tungsten oxide

(huebnerite) , MnW04 2m 24

Manganese vanadium oxide, Mn2V207 9m 75

Mercury amide chloride, HgNH2Cl ... 10m 40

Mercury ammine chloride,

Hg(NH3)2Cl2 llm 39

Mercury bromate, Hg(Br03)2 10m 107

Mercury bromide, HgBr2 10m 110

Mercury bromide, Hg2Br2 7 33

Mercury chloride, HgCl2 13m 29

Mercury chloride (calomel),

Hg2Cl2 13m 30

Mercury chloride sulfide,

a-Hg3Cl2S2 8m 118

Mercury(II) cyanide, Hg(CN)2 6 35

Mercury(ll) fluoride, HgF2 2m 25

Mercury hydroxide nitrate,

Hg(0H)NO3 17m 52

Mercury(I) iodide, Hgl 4 49

Mercury(II) iodide, Hgl2 (tetragonal) 7m 32

95
Vol. or

Sec. Page

Mercury(II) oxide (montroydite)

,

HgO 9 39

Mercury(II) selenide (tiemannite)

,

HgSe 7 35

Mercury sulfate, HgS04 16ni 50

Mercury sulfate, Hg2S04 16rn 52

Nercury(II) sulfide (cinnabar),

HgS (hexagonal) 4 17 Mercury(II) sulfide (metacinnabar)

,

HgS (cubic) 4 21

Molybdenum, Mo 1 20

Molybdenum arsenide, M02AS3 10m 115

Molybdenum osmium, M03OS 6m 28

Molybdenum oxide (molybdite) , M0O3 3 30

Molybdenum sulfide (molybdenite),

M0S2 5 47

Neodymium arsenate, NdAs04 4m 28

Neodymium arsenide, NdAs 4m 64

Neodymium borate, NdB03 Im 32

Neodymium chloride, NdCl3 Im 33

Neodymium chloride oxide, NdOCl.... 8 37 Neodymium fluoride, NdFs 8 36

Neodymium oxide, Nd203 4 26

Neodymium phosphate, NdP04 11m 40

Neodymium selenide, NdSe 5m 71 Neodymium silver, NdAg 5m 71

Neodymium vanadium oxide, NdV04 ... 4m 30

Neptunium nitride, NpN 4m 64

Nickel, Ni 1 13

Nickel aluminum oxide, NiAl204 .... 9 42

Nickel arsenide (rammelsbergite)

,

NiAs2 10 42

Nickel arsenic sulfide

(gersdorffite) , NiAsS Im 35

Nickel bromide, NiBr2 10m 119

Nickel(II) carbonate, NiCOg

(trigonal) Im 36

Nickel chloride, NiCla 9m 81

Nickel chloride hydrate,

NiCl2-6H20 11m 42

Nickel fluoride, NiF2 10m 121

Nickel fluoride hydrate, NiF2 -41120 11m 43

Nickel gallium oxide, NiGa204 10 45

Nickel germanium oxide, Ni2Ge04 ... 9 43

Nickel iron oxide (trevorite)

,

NiFe204 10 44

Nickel nitrate hydrate,

Ni(N03)2-6H20 12m 26

Nickel(Il) oxide (bunsenite) , NiO 1 47 Nickel phosphate, Ni(P03)2 14m 22

Nickel phosphide, Nii2P5 9m 83

Nickel silicon fluoride hydrate,

NiSiF6-6H20 8 38

Nickel sulfate, NiS04 2m 26

Nickel sulfate hydrate (retgersite)

,

NiS04-6H20 7 36

Nickel sulfide, millerite, NiS .... Im 37 Nickel tungsten oxide, NiW04 2m 27 Nickel yttrium, Ni3Y 10m 123

Niobium boride, ^-NbB 17m 54

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

Niobium osmium, NbsOs 6m 30

Niobium platinum, NbgPt 6m 31

Niobium silicide, NbSi2 8 39

Niobium silicide, a-Nb5Si3 15m 43

Niobium silicide, {B-NbsSig 15m 44

Osmium, Os 4 8

Vol. or

Sec. Page

Osmium titanium, OsTi 6m 85

Palladium, Pd 1 21

Palladium hydride, PdHo.706 5m 72

Palladium oxide, PdO . .'. 4 27 Palladium selenium (palladseite)

,

Pdi7Sei5 16m 139

Palladium vanadium, PdVg 6m 32

Phosphorus bromide, PBr7 7m 150

Phosphorus oxide (stable form 1),

P2OS (orthorhombic) 9m 86

Phosphorus oxide (stable form II),

P2O5 (orthorhombic) 9m 88

Phosphorus oxide (metastable form),

P4O10 (rhombohedral) 9ra 91 Platinum, Pt 1 31

Platinum titanium, PtTi3 6m 33

Platinum vanadium, PtV^ 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 ,i6Bao.72Feo.36Ti5.sgOi3 16m 147

Potassium barium molybdenum oxide,

K2Ba(Mo04)2 14m 24

Potassium barium nickel nitrite,

K2BaNi(N02)6 9m 32

Potassium borate hydroxide hydrate,

K2B405(0H)4-2H20 15m 46

Potassium boron hydride, KBH4 9 44

Potassium broinate, KBrOg 7 38

Potassium bromide, KBr 1 66

Potassium bromide chloride,

KBro.sClo.5 ••• 8m 46

Potassium bromide iodide,

KBr,33l,67 llm

Potassium bromide iodide,

KBr_67l.33 llm ^5

Potassium cadmium fluoride, KCdFs 8ra 47 Potassium cadmium sulfate,

K2Cd2(S04)3 7m 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 9ni 33

Potassium calcium sulfate,

K2Ca2(S04)3 7m 39

Potassium calcium sulfate hydrate

(syngenite), K2Ca(S04)2 •H2O 14m 25 Potassium cerium fluoride, p-KCeF4 12m 59

Potassium chlorate, KCIO3 3m 42

Potassium chlorate, KCIO4 6 43

Potassium chloride (sylvite) , KCl I 65 Potassium chromium oxide, KgCrOg . 3m 44

Potassium chromium oxide (lopezite) , K2Cr207 15m 47

96
Vol. or Vol. or

Sec. Page Sec. Page

Potassium chromium oxide sulfate,

K2(Cr04). 33(304). 67 12m 28

Potassium chromium oxide sulfate,

K2(Cr04).67(S04),33 12m 27

Potassium chromium sulfate,

KCr(S04)2 16m 58

Potassium chromium sulfate hydrate,

KCr(S04)2-12H20 6 39

Potassium cobalt(Il) fluoride,

KC0F3 6m |37

Potassium cobalt fluoride, K2C0F4 11m 46

Potassium cobalt nitrite,

K3Co(N02)6 9 45

Potassium cobalt(ll) sulfate,

K2C02 (304)3 6m 35

Potassium copper chloride, KCUCI3 7m 41

Potassium copper chloride hydrate

(mitscherlichite) , K2CuCl4-2H20 .. 9m 34

Potassium copper(ll) fluoride,

KCUF3 6m 38

Potassium cyanate, KCNO 7 39

Potassium cyanide, KCN 1 77 Potassium fluoride, KF 1 64

Potassium germanium fluoride,

K2GeF6 6 41

Potassium hydrogen arsenate,

KH2ASO4 Im 38

Potassium hydrogen iodate,

KH(I03)2 17m 58

Potassium hydrogen phosphate,

KH2PO4 3 69

Potassium hydroxide, KOH at 300 °C 4m 66

Potassium iodate, KIO3 15m 48

Potassium iodate, KIO4 7 41

Potassium iodide, KI 1 68

Potassium iron chloride hydrate

(erythrosiderite) , K2FeCl5-H20 ... 14m 27

Potassium iron cyanide, K3Fe(CN)6 9m 35

Potassium iron(ll) fluoride, KFeF3 6m 39

Potassium iron fluoride, K3FeF6 ... 9m 37

Potassium iron sulfate (yavapaiite)

,

KFe(S04)2 16m 59

Potassium lead chloride, KPb2Cl5 .. 13m 33

Potassium lead chromium oxide,

K2Pb(Cr04)2 14m 28

Potassium lead molybdenum oxide,

K2Pb(Mo04)2 14m 29

Potassium lead phosphate,

K2Pb(P03)4 15m 50

Potassium lead selenate,

K2Pb(Se04)2 15m 52

Potassium lead sulfate (palmierite)

,

K2Pb (304)2 14m 30

Potassium magnesium chloride

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

Potassium magnesium chromium 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(S04)3 6m 40

Potassium magnesium sulfate hydrate

(picromerite) , K2Mg(S04)2-6H20 8m 54

Potassium manganese(II) fluoride,

KMnFg 6m 45

Potassium manganese oxide, KMn04 7 42

Potassium manganese(II) sulfate

(manganolangbeinite) , K2Mn2(S04)3 6m 43

Potassium molybdenum oxide, K2M0O4 15m 53

Potassium molybdenum oxide phosphate hydrate, K3(Mo03) i2P04 -41120 8 43

Potassium nickel fluoride, KNiFs 7m 42

Potassium nickel fluoride, K2NiF4 10m 45

Potassium nickel(II) sulfate,

K2Ni2 (804)3 6m 46

Potassium niobium fluoride, K2NbF7 8m 120

Potassium niobium oxide, KNbOs .... 17m 62

Potassium nitrate (niter) , KNO3 ... 3 58

Potassium nitrite, KNO2 9m 38

Potassium nitrosyl ruthenium

chloride, KgNORuCls 16m 61

Potassium oxide, K2O 10m 125

Potassium platinum bromide, K2PtBr6 8 40

Potassium platinum chloride,

KzPtCle 13m 34

Potassium platinum fluoride,

KaPtFg 6 42

Potassium rhenium chloride, K2ReCl6 2m 28

Potassium rhenium oxide, KRe04 .... 8 41

Potassium rubidium chloride,

Ko.5Rbo.5Cl 8m 76

Potassium rubidium chromium oxide,

KRbCr04 12m 29

Potassium ruthenium chloride,

K2RUCI6 10 46

Potassium ruthenium oxide chloride

hydrate, K4RU2OCI 10 •H2O 10 47

Potassium selenate, K2Se04 9m 41

Potassium selenide, K2Se 10m 126

Potassium selenium bromide, K2SeBr6 8 41

Potassium silicon fluoride

(hieratite), KgSiFg 5 50

Potassium silver cyanide, KAg(CN)2 8m 78

Potassium sodium aluminum fluoride

(elpasolite) , KgNaAlFe 9m 43

Potassium sodium bromide,

K.2Na.8Br 12m 62

Potassium sodium bromide,

K.4Na.6Br 12m 62

Potassium sodium bromide,

K.6Na.4Br 12m 62

Potassium sodium bromide,

K.8Na.2Br 12m 62

Potassium sodium chloride,

K.2Na.8Cl 12m 63

Potassium sodium chloride,

K.4Na.6Cl 12m 63

Potassium sodium chloride,

K.6Na.4Cl 12m 63

Potassium sodium chloride,

K.8Na.2Cl 12m 63

Potassium sodium sulfate,

K.eyNai .33SO4 6m 48

Potassium sodium sulfate, KNa304 .. 6m 50

Potassium sodium sulfate

(aphthitalite) , K3Na(S04)2 6m 52

Potassium strontium chromium oxide,

K23r(Cr04)2 15m 57

Potassium strontium selenate,

K2Sr(Se04)2 15m 58

Potassium strontium sulfate

(kalistrontite) , K2Sr(S04)2 14m 31

97
Potassium sulfate, K2S2O7

Potassium sulfate, K2S2O8

Potassium sulfate (arcanite), K2SO4

Potassium sulfide, K2S

Potassium telluride, K2Te

Potassium thiocyanate, KCNS

Potass ium tin chloride, K2SnClg . . . Potassium titanium fluoride, K2TiF6

Potassium tungsten oxide, K2WO4 ... Potassium vanadium oxide, KVsOg ... Potassium zinc bromide hydrate,

KZnBr3-2H20

Potassium zinc fluoride, KZnFs .... Potassium zinc fluoride, K2Znr4 ... Potassium zinc iodide hydrate,

KZnl3-2H20

Potassium zinc sulfate, K2Zn2(S04)3

Potassium zinc sulfate hydrate,

K2Zn(S04)2-6H20

Potassium zinc vanadium oxide

hydrate, K2Zn2Vio028 ' I6H2O

Potassium zirconium fluoride,

KsZrFy

Praseodymium arsenate, PrAs04

Praseodymium arsenide, PrAs

Praseodymium chloride, PrCls

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(S04)2-12H20

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, RbCdCls (orthorhombic)

Rubidium cadmium sulfate,

Rb2Cd2(S04)3

Rubidium calcium chloride, RbCaCls

Rubidium calcium fluoride, RbCaFs

Rubidium calcium sulfate,

Rb2Ca2(S04)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,

RbCoCla

Rubidium cobalt fluoride, RbCoFs .. Rubidium cobalt sulfate,

Rb2Co2(S04)3

Rubidium copper chloride hydrate,

Rb2CuCl4-2H20

Vol. or Sec

.

9ni I7m 64

J 6?

10m

10m 128

g 44

JO

7 40

11m 47

8m 56

11m 104

5 51

1 nm

11m 107

6m 54

7m 43

3m 45

q 46

Am j^

67

1 m jy

Q5 52

67

Sm 40

Jul Sm

2 13

3 9

6in 56

6 44

Sm 73

14m 32

15m 59

8 45

7 43

5m 43

5m 41

7m 45

7m 47

8m J /

7m 48

g 47

2m

4 41

3m 46

15m 60

6m 57

8m 58

OUI

10m 47

Vol. or

Sec. Page

Rubidium copper sulfate hydrate,

Rb2Cu(S04)2-6H20

Rubidium fluoride, RbF

Rubidium iodate, RblOs

Rubidium iodate, RbI04

Rubidium iodide, Rbl

Rubidium iron chloride hydrate,

Rb2FeCl5-H20

Rubidium iron sulfate hydrate,

Rb2Fe(S04)2-6H20

Rubidium lead chromium oxide,

Rb2Pb(Cr04)2

Rubidium lead molybdenum oxide,

Rb2Pb(Mo04)2

Rubidium magnesium chromium oxide,

Rb2Mg2(Cr04)3

Rubidium magnesium chromium oxide

hydrate, Rb2Mg(Cr04)2 •6H2O

Rubidium magnesium sulfate,

Rb2Mg2 (504)3

Rubidium magnesium sulfate

hydrate, Rb2Mg(S04)2 -61120 Rubidium manganese(II) fluoride,

RbMnF3

Rubidium manganese sulfate,

Rb2Mn2 (304)3

Rubidium nickel(II) chloride,

RbNiCla

Rubidium nickel sulfate,

Rb2Ni2(S04)3

Rubidium nickel sulfate hydrate,

Rb2Ni(S04)2-6H20

Rubidium nitrate, RbN03 (trigonal)

Rubidium platinum chloride,

RbzPtClg

Rubidium platinum fluoride, Rb2PtF6

Rubidium selenate, Rb2Se04

Rubidium silicon fluoride, Rb2SiF6

Rubidium strontium chloride,

RbSrCl3

Rubidium strontium chromium oxide,

Rb2Sr(Cr04)2

Rubidium strontium sulfate,

Rb2Sr(S04)2

Rubidium sulfate, Rb2S04

Rubidium tellurium bromide,

Rb2TeBr6

Rubidium tellurium chloride,

Rb2TeCl6

Rubidium tin chloride, Rb2SnCl6 ••• Rubidium zinc fluoride, RbZnF3 .... Rubidium zinc sulfate hydrate,

Rb2Zn(S04)2-6H20

Ruthenium, Ru

Ruthenium titanium, RuTi

Samarium arsenate, SmAs04

Samarium arsenide, SmAs

Samarium chloride, SmCls

Samarium chloride oxide, SmOCl .... Samarium fluoride, SmF3

Samarium oxide, Sm203 (cubic)

Samarium silver, SmAg

Samarium tin oxide, Sm2Sn207

Samarium vanadium oxide, SmV04 .... Scandium arsenate, SCASO4

Scandium arsenide, ScAs

Scandium boride, SCB2

8m 61

8m 63

15m 62

2m 31

4 43

14m 33

8m 64

14m 34

15m 63

8m 66

8m 68

7m 50

8m 70

5m 44

/ m

6m 58

om 70

8m 74

5m 45

5 53

6 48

9m 44

5

7m 54

15m 64

i JIN DJ

8 48

Q0 H-D

0 +0

D HO

7m/ 111 J /

7m/ III J J

A c: J 6m 00

4in JJ

4in Aft

liu LC\ hU

IQl Hj

1 m AT

4ni 5m 73

8m 77 5m 47 4m 35

4m 68

17m 66

98
Vol. or Vol. or

Sec. Page Sec. Page

Scandium oxide, SC2O3 3 Scandium phosphate, SCPO4 8 Scandium silicate (thortveitite)

,

Sc2Si207 701 Selenium, Se 5 Selenium oxide (selenolite) , Se02 7m

Silicon, Si 13m

Silicon, Si (reference standard) .. 12m

Silicon nitride, p-Si3N4 14m

Silicon oxide (a or low

cristobalite) , Si02 (tetragonal) 10

Silicon oxide (a or low

cristobalite), Si02 (tetragonal)

(calculated pattern) 15m

Silicon oxide (a or low quartz),

Si02 (hexagonal) 3

Silicon oxide (P or high

cristobalite), Si02 (cubic) 1 Silver, Ag 1 Silver, Ag (reference standard) ... 8m

Silver arsenate, Ag3As04 5 Silver arsenic sulfide,

xanthoconite , AgsAsSs 8m

Silver bromate, AgBrOs 5 Silver bromide (bromargyrite) , AgBr 4 Silver carbonate, Ag2C03 13m

Silver chlorate, AgClOs 7 Silver chloride (chlorargyrite) , AgCl 4

Silver chromium oxide, Ag2Cr04 .... 12m

Silver cyanide, AgCN 9m

Silver fluoride, Ag2F 5m

Silver iodate, AgI04 9 Silver iodide (iodargyrite) , Agl

(hexagonal) 8

Silver iodide, Y"AgI (cubic) 9 Silver manganese oxide, AgMn04 .... 7m

Silver mercury iodide, p-Ag2Hgl4 .. 17m

Silver molybdenum oxide, Ag2Mo04 .. 7 Silver nitrate, AgNOs 5 Silver nitrite, AgN02 5 Silver oxide, Ag20 Im Silver (II) oxide nitrate, AgyOgNOs 4

Silver phosphate, Ag3P04 5 Silver rhenium oxide, AgRe04 8

Silver selenate, Ag2Se04 2m

Silver sodium chloride,

Ago.5Nao.5Cl 8m

Silver sulfate, Ag2S04 13m

Silver sulfide (acanthite), Ag2S .. 10

Silver terbium, AgTb 5m

Silver thiocyanate, AgCNS 16m

Silver thulium, AgTm 5m

Silver yttrium, AgY 5m

Sodium, Na 9m

Sodium aluminum chloride silicate,

sodalite, NagAl6Cl2(Si04)6 7m

Sodium aluminum fluoride (chiolite),

Na5Al3Fi4 16m

Sodium aluminum sulfate hydrate

(soda alum), NaAl (SO4) 2 ' I2H2O 15m

Sodium azide, a-NaNs, at -90 to -100 °C 8m

Sodium azide, p-NaNs 8m

Sodium beryllium calcium aluminum

fluoride oxide silicate, meliphanite,

(Nao.63Cai.37)Be(Alo.i3Sii,g7)

(5^0.7506.25) fin

27 Sodium beryllium calcium fluoride

50 silicate, leucophanite

,

NaBeCaFSi206 8m 138

58 Sodium borate, Na2B407 16m 64

54 Sodium borate, Na2B80i3 7m 160

60 Sodium borate hydroxide hydrate

35 (borax), Na2B405(0H)4 •8H2O 16m 66

2 Sodium boron hydride, NaBH4 9 51

116 Sodium bromate, NaBrOs 5 65

3 47

48 Sodium bromide chloride.

NaBr.33Cl.67 11m 49

Sodium bromide chloride,

180 NaBr.67Cl.33 11m 50

Sodium calcium aluminum fluoride

24 hydrate, thomsenolite

,

NaCaAlFe'HzO 8m 132

42 Sodium calcium carbonate hydrate.

23 pirssonite, Na2Ca(C03)2-2H20 9m 106

2 Sodium calcium phosphate, p-NaCaP04 15m 69

56 Sodium calcium silicate, Na2CaSi04 10m 48

Sodium calcium sulfate (glauberite)

,

126 Na2Ca(S04)2 6m 59

57 Sodium carbonate hydrate (thermo46 natrite), Na2C03-H20 8 54

36 Sodium carbonate sulfate, Na4C03S04 11m 51

44 Sodium carbonate sulfate (burkeite),

Na6C03(S04)2 11m 52

44 Sodium carbonate sulfate,

30 Na6C03(S04)2 11m 53

48 Sodium carbonate sulfate.

53 Na6(C03)2S04 11m 54

49 Sodium chlorate, NaClOs 3 51

Sodium chlorate, NaC104

51 (orthorhombic) 7 49

48 Sodium chlorate hydrate,

155 NaC104-H20 17m 68

67 Sodium chloride (halite), NaCl .... 2 41

45 Sodium chromium oxide, Na2Cr04 .... 9m 48

59 Sodium chromium oxide hydrate.

60 Na2Cr04-4H20 9m 50

45 Sodium chromium oxide hydrate.

61 Na2Cr207-2H20 7m 62

62 Sodium chromium oxide sulfate,

53 Na4(Cr04)(S04) 11m 55

32 Sodium cobalt nitrite, Na3Co(N02)6 15m 70

Sodium cobalt(II) sulfate hydrate,

79 Na2Co(S04)2-4H20 6m 61

37 Sodium cyanate , NaCNO 2m 33

51 Sodium cyanide, NaCN (cubic) 1 78

74 Sodium cyanide, NaCN (orthorhombic)

62 at 6 °C 1 79

74 Sodium fluoride (villiaumite) , NaF 1 63

75 Sodium hydrogen carbonate hydrate.

105 trona, Na3H(C03)2 •2H2O 15m 71 Sodium hydrogen fluoride, NaHF2 ... 5 63

158 Sodium hydrogen phosphate,

Na3H(P03)4 10m 130

63 Sodium hydrogen silicate hydrate,

Na2H2Si04-4H20 7m 163

68 Sodium hydrogen sulfate hydrate,

NaHS04-H20 9m 52

129 Sodium hydroxide, NaOH at 300 °C .. 4m 69

130 7 47

Sodium iodate, Nal04 7 48

Sodium iodate hydrate, NaI03'H20 .. 17m 73

4 31

135

99
Vol. or

Sec.

Sodium iron fluoride, NasFeFg 9m

Sodium lanthanum fluoride silicate,

(Na2La8)F2(Si04)6 7m

Sodium lanthanum molybdenum oxide,

NaLa(Mo04)2 10m

Sodium magnesium aluminum boron

hydroxide silicate, dravite,

NaMg3Al6B3(0H)4Si602 7 3m

Sodium magnesium carbonate

(eitelite), Na2Mg(C03)2 11m

Sodium magnesium sulfate

(vanthoffite) , Na6Mg(S04)4 15m

Sodium magnesium sulfate hydrate,

bloedite, Na2Mg(S04)2 •4H2O 6m

Sodium magnesium sulfate hydrate

(loeweite), Nai2Mg7(S04)i3-15H20 14m

Sodium manganese (II) fluoride,

NaMnT3 6m

Sodium manganese sulfate hydrate,

Nai2Mn7(S04)i3-15H20 14m

Sodium mercury(II) chloride hydrate,

NaHgCl3-2H20 6m

Sodium molybdenum oxide, Na2Mo04 .. Im Sodium molybdenum oxide, Na2Mo207 9m

Sodium neodyraium fluoride silicate,

(Na2Nd8)F2(Si04)6 7m

Sodium nickel(II) sulfate hydrate,

Na2Ni(S04)2'4H20 6m

Sodium nitrate (soda niter), NaNOs 6 Sodium nitrite, NaN02 4 Sodium oxide, Na20 10m

Sodium phosphate, NasPsOg 3m

Sodium phosphate hydrate,

Na3P309-H20 3m

Sodium phosphate hydrate,

0(-Na4P40i2 •4H2O (monoclinic) 13m

Sodium phosphate hydrate,

p-Na4P40i2-4H20 (triclinic) 2m

Sodium phosphate hydrate,

Na6P60i8-6H20 5m

Sodium praseodymium fluoride

silicate, (Na2Pr8)F2(Si04)6 7m

Sodium selenate, Na2Se04 9m

Sodium selenide, Na2Se 10m

Sodium silicate, a(III), Na2Si205 8m

Sodium silicate, p-Na2Si205 10m

Sodium silicon fluoride

(malladrite) , Na2SiF6 16m

Sodium sulfate, Na2S04 11m

Sodium sulfate (thenardite) , Na2S04 2 Sodium sulfate hydrate,

Na2S203-5H20 17m

Sodium sulfide, Na2S 10m

Sodium sulfite, Na2S03 3 Sodium telluride, Na2Te 10m

Sodium tin fluoride, NaSn2F5 7m

Sodium titanium oxide, Na2Ti307 ... 16m

Sodium tungsten oxide, Na2W04 Im Sodium tungsten(VI) oxide hydrate,

Na2W04-2H20 2m

Sodium zinc fluoride, NaZnFs 6m

Sodium zinc sulfate hydrate,

Na2Zn(S04)2*4H20 6m

Sodium zirconium fluoride,

Na7Zr6F3x 8m

Strontium aluminum hydroxide,

Sr3Al2(0H)i2 10m

Vol. or Page Sec. Page

54 Strontium aluminum oxide, Sr3Al206 10m 52

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

64 8m 146

Strontium borate, SrB204 3m 53

49 4m 36

Strontium bromate hydrate.

Sr(Br03)2-H20 17m 76

47 Strontium bromide fluoride, SrBrF 10m 54

Strontium bromide hydrate.

56 SrBr2-6H20 4 60

Strontium carbonate (strontianite)

,

72 SrC03 3 56

Strontium chloride, SrCl2 4 40

63 Strontium chloride fluoride, SrClF 10m 55

Strontium chloride hydrate.

35 SrCl2-2H20 11m 58

Strontium chloride hydrate,

65 SrCl2-6H20 4 58

Strontium chloride hydroxide

37 phosphate, SrsCl.esCOH) ,35(P04)3 11m 60

Strontium chromium oxide.

66 SrCr207 17m 77 46 Strontium chromium oxide, Sr2Cr04 16m 71 110 Strontium chromium oxide hydrate.

SrCr207 -31120 17m 79

66 Strontium fluoride, SrF2 5 67

13m 41

68 Strontium hydroxide hydrate.

50 Sr(0H)2-H20 13m 42

62 Strontium hydroxide hydrate.

134 Sr(0H)2-8H20 13m 43

49 Strontium indium hydroxide.

Sr3ln2(0H)i2 6m 76

50 Strontium iodide hydrate.

Srl2-6H20 8 58

39 Strontium manganese oxide.

SrMn03 (cubic) 10m 56

35 Strontium manganese oxide.

10m 58

54 Strontium molybdenum oxide, SrMo04 7 50

Strontium nitrate, Sr(N03)2 12m 31

68 Strontium oxide, SrO 5 68

55 Strontium oxide, Sr02 6 52

135 Strontium oxide hydrate, Sr02 '81120 11m 61

141 Strontium phosphate, a-Sr2P207 .... 11m 62

136 Strontium phosphate, a-Sr3(P04)2 11m 64

Strontium scandium oxide hydrate,

68 Sr3Sc206*6H20 6m 78

57 Strontium silicate, SrsSiOs 13m 44

59 Strontium sulfate (celestite).

SrS04 2 61

74 7 52

140 4m 69

60 Strontium tin oxide, SrSnOs 8m 80

141 Strontium titanium oxide, SrTi03 .. 3 44

166 Strontium tungsten oxide, SrW04 . .

.

7 53

69 Strontium tungsten oxide, Sr2W05 .. 12m 32

47 Strontium vanadium oxide, Sr3(V04)2 15m 73

Strontium zirconium oxide, SrZrOs 9 51

33 Sulfamic acid, H2NSO3H 7 54

74 Sulfur, S (ortho rhombic) 9 54

1 29

72 8 59

Tellurium, Te 1 26

144 Tellurium(IV) oxide (paratellurite)

Te02 (tetragonal) 7 56

50 Tellurium(IV) oxide, paratellurite.

Te02 (tetragonal) 10 55

100
Vol. or

Sec. Page

Tellurium(IV) oxide, tellurite,,

Te02 (orthorhotnbic) 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 16m 73

Thallium aluminum sulfate hydrate,

T1A1(S04)2 •I2H2O 6 53

Thallium(I) arsenate, TI3ASO4 2m 37

Thallium azide, TIN3 8m 82

Thallium(I) bromate, TlBrOa 8 60

Thallium bromide, TlBr 7 57

Thallium cadmium sulfate,

Tl2Cd2(S04)3 8m 83

Thallium(I) chlorate, TICIO4 2m 38

Thallium(l) chlorate, TICIO3 8 61

Thallium(I) chloride, TlCl 4 51

Thallium chromium oxide, Tl2Cr04 .. 3m 54

Thallium chromium sulfate hydrate,

TlCr(S04)2-12H20 6 55

Thallium cobalt sulfate,

Tl2Co2(S04)3 8m 85

Thallium cobalt sulfate hydrate,

Tl2Co(S04)2-6H20 7m 70

Thallium copper sulfate hydrate,

Tl2Cu(S04)2-6H20 7m 72

Thalliiim fluoride, TIF 16m 74

Thallium gallium sulfate hydrate,

TlGa(S04)2-12H20 6 57

Thallium(I) iodate, TIIO3 8 62

Thallium(l) iodide, Tll

(orthorhombic) 4 53

Thallium iron sulfate hydrate,

Tl2Fe(S04)2-6H20 8m 87

Thallium lead sulfate,

Tl2Pb(S04)2 15m 74

Thallium magnesium chromium oxide,

Tl2Mg2(Cr04)3 8m 89

Thallium magnesium sulfate hydrate,

Tl2Mg(S04)2-6H20 7m 74

Thallium manganese sulfate,

Tl2Mn2(S04)3 7m 76

Thallium nickel sulfate hydrate,

Tl2Ni(S04)2-6H20 7m 78

Thallium(I) nitrate, TINO3 6 58

Thallium oxide (avicennite) , TI2O3 16m 77 Thallium(III) oxide, TI2O3 2 28

Thallium(l) phosphate, TI3PO4 7 58

Thallium(IJI) phosphate, TIPO4 7 59

Thallium platinum chloride,

Tl2PtCl6 5 70

Thallium silicon fluoride, Tl2SiF6 6 56

Thallium strontium sulfate,

Tl2Sr(S04)2 15m 75 Thallium(I) sulfate, TI2SO4 6 59

Thallium(I) thiocyanate, TICNS .... 8 63

Thallium tin chloride, Tl2SnCl6 ... 6 54

Thallium(I) tungsten oxide, TI2WO4 Im 48

Thallium zinc sulfate hydrate,

Tl2Zn(S04)2 •6H2O 7m 80

Thorium arsenide, ThAs 4m 70

Thorium oxide (thorianite) , Th02 .. 1 57

Vol. or

Sec. Page

Thulium arsenate, TmAs04 3m 56

Thulium arsenide, TmAs 4m 71

Thulium nitride, TmN 4m 71 Thulium oxide, Tm203 9 58

Thulium telluride, TmTe 4m 72

Thulium vanadium oxide, TmV04 5m 57

Tin, a-Sn (cubic) 2 12 Tin, p-Sn (tetragonal) 1 24

Tin arsenide, SnAs 4m 37

Tin arsenide, Sn3 gAss 15m 76

Tin chloride hydrate, SnCl2-2H20 .. 17m 84

Tin(Il) fluoride, SnF2 3m 51

Tin hydrogen phosphate, SnHP04 .... 13m 46

Tin(IV) iodide, Snl4 5 71

Tin(II) oxide (romarchite) , SnO ... 4 28

Tin(lV) oxide (cassiterite) , Sn02 1 54

Tin sulfide (berndtite), p-SnS2 ... 9m 57

Tin(ll) telluride, SnTe 7 61

Titanium, Ti 3 4 Titanium(IlI) oxide, TiOi^is 9 59

Titanium oxide (anatase), Ti02 .... 7m 82

Titanium oxide, brookite, Ti02

(orthorhombic) 3m 57

Titanium oxide (rutile), Ti02 7m 83

Titanium silicide, TisSis 8 64

Titanium sulfide, TiS2 4m 72

Titanium sulfide, Ti2S 8m 149

Tungsten, W 1 28

Tungsten, W (reference standard) . . 8m 2 Tungsten sulfide (tungstenite) , WS2 8 65

Uranium oxide, UO 5m 78

Uranium oxide (uraninite), UO2 .... 2 33

Uranium selenide, USe 5m 78

Uranium telluride, UTe 4m 73

Vanadium, V 9m 58

Vanadium(V) oxide (shcherbinaite)

,

V2O5 8 66

Vanadium sulfide, 01-V3S 14m 118

Vanadium sulfide, P-V3S 14m 120

Ytterbium arsenate, YbAs04 4m 38

Ytterbium arsenide, YbAs 4m 73

Ytterbium nitride, YbN 4m 74

Ytterbium oxide, Yb203 6m 80

Ytterbium selenide, YbSe 5m 79

Ytterbium telluride, YbTe 5m 79

Ytterbium(lll) vanadium oxide,

YbV04 5m 58

Yttrium arsenate, YASO4 2m 39

Yttrium arsenide, YAs 4m 74

Yttrium chloride oxide, YClO Im 51

Yttrium oxide, Y2O3 3 28

Yttrium phosphate (xenotime) , YPO4 8 67

Yttrium sulfide, YS 5m 80

Yttrium telluride, YTe 4m 75

Yttrium titanium oxide, Y2Ti05 .... 11m 113

Yttrium vanadium oxide, YVO4 5m 59

Zinc, Zn 1 16

Zinc aluminum oxide (gahnite)

,

ZnAl204 2 38

Zinc ammine bromide, Zn(NH3)2Br2 11m 68

Zinc ammine chloride, Zn(NH3)2Cl2 10m 59

Zinc antimony oxide, ZnSb204 4m 39

Zinc borate, Zn4B60i3 13m 48

Zinc carbonate, smithsonite, ZnC03 8 69

Zinc chlorate hydrate,

Zn(C104)2-6H20 16m 79

Zinc chromium oxide, ZnCr204 9m 59

Zinc cobalt oxide, ZnCo204 10m 60

101
Vol. or

Sec. Page

Zinc cyanide, Zn(CN)2 5 73

Zinc fluoride, ZnF2 6 60

Zinc fluoride hydrate, ZnF2*4H20 .. 11m 69

Zinc germanium oxide, Zn2Ge04 10 56

Zinc hydroxide silicate hydrate,

hemimorphite, Zn4(0H)2Si207 •H2O .. 2 62

Zinc iodide, Znl2 9 60

Zinc iron oxide (f ranklinite)

,

Znre204 9m 60

Zinc manganese oxide (hetaerolite)

,

ZnMn204 10m 61

Zinc molybdenum oxide, Zn2Mo308 ... 7m 173

Zinc nitrate hydrate,

a-Zn(N03)2-6H20 12m 36

Zinc oxide (zincite), ZnO 2 25

Zinc phosphate, a-Zn3(P04)2 16m 80

Zinc phosphate, p-Zn3(P04)2 16m 81

Zinc phosphate, Y-Zn3(P04)2 16m 83

Zinc phosphate hydrate (hopeite),

Zn3(P04)2-4H20 16m 85

Zinc selenide, ZnSe 3 23

Zinc silicate (willemite), Zn2Si04 7 62

Zinc silicon fluoride hydrate,

ZnSiF6'6H20 8 70

Zinc sulfate (zinkosite), ZnS04 ... 7 64

Zinc sulfate hydrate (goslarite),

ZnS04'7H20 8 71

Zinc sulfide (wurtzite), a-ZnS

(hexagonal) 2 14

Zinc sulfide (sphaelerite) , p-ZnS

(cubic) 2 16

Zinc telluride, ZnTe 3m 58

Zinc tin oxide, Zn2Sn04 10m 62

Zinc titanium oxide, ZnTiOs 13m 49

Zinc titanium oxide, Zn2Ti04 12m 37

Zinc tungsten oxide (sanmartinite)

,

ZnW04 2m 40

Zirconium, a-Zr 2 11 Zirconium hydride, ZrH2 5m 60

Zirconium iodate, Zr(I03)4 Im 51

Zirconium nitride, ZrN 5m 80

Zirconium oxide, ZrO 5m 81

Zirconium phosphide, ZrP 4m 75

Zirconium silicate, zircon, ZrSi04 4 68

Zirconium silicide, ZrSi2 17m 86

Zirconium sulfate hydrate

(zircosulfate) , Zr(S04)2 •4H2O 7 66

102
Vol. or

Sec. Page

C7H5C102 m-Chlorobenzoic acid I6m 30

C7H5F02 p-Fluorobenzoic acid I6m 36

C7H9N02S Methyl sulfonanilide 9m 78

C7H1204 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 CgHaNO Acetanilide (calc. pattern) 14m 38

C8H9NO Acetanilide 16m 7 C8HiiN2Na03 Sodium barbital l6m 157

C8H12N2O3 Barbital, form I 15m 126

C8H12N2O3 Barbital, form II 15m 128

C8H12N2O3 Barbital, form IV 15m 130

C9Hi4N203 Metharbital 15ra 177

C10H12N2O3 Allobarbital 14m 41

CjoHieClNO (-)-Ephedrine hydrochloride 16m 124

C11H16N2O3 Vinbarbital, form I 16m 162

C11H18N2O3 Amobarbital, form 1 15m 114

C11H18N2O3 Amobarbital, form II 15m 117

C12H10N2 Azobenzene 7m 86

C12H12N2O3 Phenobarbital , form III I6m 144

C12H16CI2CUN8 Copper tetrapyrazole chloride 8m 31

Ci2Hi6Cl2N8Ni Nickel tetrapyrazole chloride 8m 44

CjzHieCuNioOe Copper tetraimidazole nitrate 13m 24

C12H16N2 (N,N) -Dime thyItryptamine 14m 109

C12H16N2O Bufotenine 15m 133

C12H16N2O Psilocin 16m 152

^12^22011 Sucrose 11m 66

C12H26N2O4 Hexamethylenediammonium adipate 7m 121

Cl3H2lClN202 Procaine hydrochloride 16m 149

C13H21N2O4P Psilocybin methanolate 16m 154

C14H11FO 4-Acetyl-2' -f luorodiphenyl 8m 91

C14H20CIN3S Methapyrilene hydrochloride 14m 112

C15H12O2 Dibenzoylme thane 7m 115

C16H13CIN2O Diazepam 14m 106

C16H13N N-Phenyl-2-naphthylamine 6m 29

C17H19CIN2S Chlorpromazine 14m 60

Ci7H2oClN03-3H20 Morphine hydrochloride hydrate 16m 133

C17H22CINO4 L-Cocaine hydrochloride 16m 114

C17H26CIN Phencyclidine hydrochloride 16m 141

Ci8H22BrN03-2H20 Codeine hydrobromide hydrate 16m 117

Ci8H24CdNi406 Cadmium hexaimidazole nitrate 8m 23

Ci8H24Ni4Ni06 Nickel hexaimidazole nitrate 7m 27

C18H28N204S (+) -Amphetamine sulfate 15m 119

Ci9H22ClN04-2H20 Naloxone hydrochloride hydrate 16m 136

C19H22N20 Cinchonine 17m 26

C19H25C1N2 Imipramine hydrochloride 16m 129

C20H26C1N03 Benactyzine hydrochloride 16m 92

C20H34 a-Dihydrophyllocladene , hartite

(or bombiccite) 16m 122

C2iH23ClFN02 Haloperidol 16m 127

C2 1H3002 Cannabidiol 16m 111

C22H25C1N20S-2H20 Clopenthixol hydrate 17m 28

C22H3004 A^-Tetrahydrocannabinolic acid B 16m 160

C24H32N202Pd Palladium bis-(N-isopropyl-3-

ethylsalicylaldiminate) 7m 144

C25H15N6 N-Methylphenazinium-7 ,7,8,8-

tetracyanoquinodimethanide 7m 146

•-33^40^209 Reserpine 8m 123

103
CUMULATIVE ORGANIC FORMULA INDEX

Vol. or

Sec. Page

CH4N20 Urea 7 61

CH4N2S Thiourea 17m 83

CH5N02 Ammoaiuffl formate 11m 9 CHsN3 •HCl Guanidinium chloride 17m 35

CH5N3S Thiosemicarbazide 17m 81

C2Ag204 Silver oxalate 9m 47

C2Fe04*2H20 Iron oxalate hydrate (humboldtine) 10m 2<t C2HNa04 •H2O Sodium hydrogen oxalate hydrate 17m 72

C2H2C3O4 Calcium formate 8 16

C2H2O4 •2H2O Oxalic acid hydrate 16m 55

C2H204Pb Lead formate 8 30

C2H204Sr Strontium formate 8 55

C2H204Sr'2H20 Strontium formate hydrate CorthorhombicJ 8 56

C2H3KO4 Potassium formate-formic acid complex 9m 93

C2H3Na02 •3H2O Sodium acetate hydrate 15m 66

C2H4N2O2 Glyoxime 8ro 102

C2H5NO2 a-Glycine 17m 34

C2H7NO2 Ammonium acetate 8m 95 PUMA n Ammonium oxalate hydrate (oxammite) 7 5 C2K2O4 •1120 Potassium oxalate hydrate 9m 39

C2Li204 Lithium oxalate 10m 34

C2Na204 Sodium oxalate 6m 70

C2O4RD2 •H2O2 Rubidium oxalate perhydrate 9m 102

C3H7NO2 L-Alanine 8m 93

C3H7NO2S L-Cysteine 11m 86

C3H10CIN Trimethylammonium chloride 9m 113

C4H3KO8 •2H2O Potassium hydrogen oxalate hydrate 17m 60

L4n4La05 •zn2U Calcium malate hydrate lum 7o

L4n4ivrlaUg *Hll2^^ Potassium sodium tartrate hydrate XDm C4n4N08Y •n20 Ammonium yttrium oxalate hydrate om 97

C4H4Na206-2H20 Sodium D-tartrate hydrate 11m 110

C4H6C0O4 •4H2O Cobalt acetate hydrate 12m 19

C4H6Hg204 Mercury acetate 17m 51

C4H6Ni04*4H20 Nickel acetate hydrate 13m 31

C4H6O6 D-Tartaric acid 7m 168

C4H7N3O Creatinine 15m 31

C4H8N8O8 a-HMX 11m "1 f\t\ 100

C4H8N8O8 p-HMX 11m 102

C4H8N8O8 Octahydro- 1,3,5, 7-tetranitro1 , 0,3 , /-tetrazocine, aipta- 1 im 1 C\(\ 100

C4H8N8O8 Octahydro-1 ,3,5 ,7-tetranltrol ,3 ,5 ,7-tetrazocine , beta- 1 im 10/

C4H22B20 bis- (o-Dodecacarborane) om

-7/ C5H4N4O3 Uric acid, phase 1 (calc. pattern) om IDH C5H4N4O3 Uric acid, phase 1 lorn

"7 Q10

C 5H7CUNO4 • 2H2O Copper glutamate hydrate /m 1 10

CsH7N04Zn*2H20 Zinc glutamate hydrate 7m 170

C5H8NNa04-H20 Sodium glutamate hydrate 17m 70

C5H9NO4 p-L-Glutamic acid 1 /m 3Z

C5H12O4 Pentaerythritol 17m 55

C6H3N3O7 Picric acid Xom DO

C6H5NO2 Nicotinic acid lom e:/. C6H6O2 Y-Hydroquinone om lU / C6H8Cl2N4Zn Zinc diimidazole chloride 7m 123

C6H8N2*HC1 Phenylhydrazme hydrochloride 17m DO

CgHsOe L-Ascorbic acid om ^6^12^4 Hexamethylenetetramine 17m

C6H12O6 Dextrose 11m Zo

C6H12O6 a-D-Glucose 11m 28

CeHisHoOizSa-gHzO Holmium ethylsulfate hydrate Im 18

C6Ha5Nd0i2S3-9H20 Neodymium ethylsulfate hydrate 9 41

C7H5Br02 o-Bromobenzoic acid 16m 22

104
CUMULATIVE ORGANIC NAME INDEX

Vol. or

Sec

.

Pace Xg

Acetanilide CgHgNO (calc. pattern) 14in 38

L\ C a1X -1_ _L. -L. CcHqNO 16in 7 A— Arptvl - ? ' - "fl uorodi tihpnvl Ci^Hi ^ 14"1 iFO 1^ ^ 8in 91

Al^ninp T.— CH3CHNH2CO2H dm 93

Al 1 obarbi tal 14in 41

ruiiv^ Amohayhi ^, Mj ^ tal^ "fonn T y ^ w ^ 111 ^ y ^ 1 8"2'^3 ISm 114

Amobarbit-dl , forin II 15in 117

muiiiuiix Ammnn i iim uui ad paI" a 1* ^ NH^ XI XX A -CHoCOo WXX V Vw ^ 8m 95

muiuvux Ammnn 1 iim uiu 'Fnvmfil'p 1. 1. iiio ww NHxHCOo X^ X X ^X X V> V./ ^ llm 9 Ammoniuin ox3lat.6 hydrate (oxammite

)

fNH^)'>C-)0i*H90 7 5 Anunonium yttrium oxalate hydrate NH4Y(C204)2*H20 Bin 97

AmDhetainxne sulfate \j 1 0'"Z o"<t^4^ ISm 119

p~An,is ic acid 0 rf o(J 0 16(0 11 Ascorbic acid , L~ 8m 99

A7oben7enp vjgii 5x^x1 15 7m 86

RaTrhital "forni T "8" 1 2"2^3 1 5m 126

Ra rbi tal form I

T

0 H '1 0 N oO 4

*-*o*' 1 2 2 3 15m 128

Barbital form IV C! 0 H 1 0 N oO 4 15m 130

Benactyzine hydrochloride CoaHocCINOo 16m 92

o~Broinoben2oic acid C7H5Br02 16m 22

Ruf XJ U -L otpni V/ ^^XXXXX^ ne ^ 1 2" 1 b*' 2 15m 133

CadiDium hexaimidazole nitrate Cd(CoH<iNo)c(NOi)o \ *'o 4 2 ' D V*"^Jy ^ 8m 23

r! 51 1 PI lim fflT*IT13 1" P CafHCOolo 8 16

Calcium malate hydrate, Ca(02C)2(CH2CH0H) -21120 10m 76

C annab i d i 0

1

^2 1**^30^2 16m 111

m~Chlorobenzoic acid C-tHcCIOo 16m 30

Chi OT*D 1*010371 ne 1.1 V> 1 tH-* VXXlUVrfX ^f. 1 XN(^^ V V 1^ 14m 60

Cinchotiine ^ iy"2 2"2" 17m 26

Clopenthixol hydrate C22H25C1N20S*2H20 17m 28

Cobalt acetate hydrate Co(CoHqOo)o*4HoO 12m 19

Cocainp hydrochloride LTM Ci iHooClNO.! 16m 114

Codeine hydrobromide hydrate CioHooBrNOq-aHoO 16m 117

Copper glutamate hydrate Cu(02C)2(H2NCHCH2CH2) •2H2O 7m 110

Copper tetraimidazole nitrate Cu(CoHdN9)4(N0o)o 13m 24

Copper tetrapyrazole chloride Cu(CoH-N9)aClo 8m 31

Creatinine 15m 31

Pv^tpi w T.— jr o v-c xxxc , xi llm 86

Dextrose ^6"1 2^6 llm 28

DluXAa^7^1^9111 c a111 ^ 1 6" 1 3*^ 2*-' 14m 106

^^XL/^XXb\/ Dl ben70vlV Xlil^ iTif*than<* ^XXCIXX^ rCfiHcCOloCHo 7m 115

fyU "HiX>rXXXjfUXV/^XXJrXXW\.XCl hvH rrinhvl 1 ap 1 ^A^x\t^ UCLXC y haLXO yl" XbrXWC 1 1 ^ (ay \,ux bombiccite) ^20"34 16m 122

(N ,N) -DimethyItryptamine C 1 on 1

o

^ 1 2" 1 o"2 14m 109

bis~ (o~Dodecacarborane) '-'4-"20^'^22 6m 7 Ephedrine hydrochloride , (~ )

CirtHiftClNO 16m 124

p "Fluorobenzoic acid C'jHcFOo V* -^xxgx W2 16m 36

Glucose ,Of-D- llm 28

Glutamic acid, P~L~ C5H9NO4 17m 32

Of— Glycine CoHcNOo 17m 34

frl vovi mp 8m 102

Gii;iTi uxxaxxxvxxxxx ifiiniiim LXIII ph\- XX 1XVhtiX X Hp CHcNo 'HCl 17m 35

Ha lope r idol CoiHooClFNOo 16m 127

Hexamethylenediammonium adipate

,

fCHo^.ifCOoHqN^ofCHo^c 7m 121

Hexamethylenetetramine Ci ^ H t 0 N << 17m 37

a-lflIX r]>*HoNoOo Vj^XXJJXI llm 100

p-HMX C 4H^N^0g llm 102

Holmium ethylsulfate hydrate Ho[(C2H5)S04]3-9H20 Im 18

Y-Hydroquinone HOC6H4OH 8m 107

Imipramine hydrochloride C19H25CIN2 16m 129

Iron oxalate hydrate (humboldtine) FeC204-2H20 10m 24

Lead formate Pb(HC02)2 8 30

Lithium oxalate Li2C204 10m 34

105
Vol. or

Sec. Page

Mercury acetate C4H6Hg204 17m 51

Mercury o-phthalate C6H4(C02Hg)2 10m 113

Methapyrilene hydrochloride, C14H20C1N3S 14m 112

Metharbital C9H14N203 15m 177

Methyl sulfonanilide C6H5NHS02CH3 9m 78

N-Methylphenazinium-? ,7 ,8,8-tetracyanoquinodimethanide C25H15N6 7m 146

Morphine hydrochloride hydrate Ci7H2oClN03-3H20 16m 133

Naloxone hydrochloride hydrate Ci9H22ClN04-2H20 16m 136

2-Naphthylamine , N-phenyl- C10H7NHC6H5 6m 29

Neodymium ethylsulfate hydrate Nd[(C2H5)S04]3-9H20 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) C4H8N80g 11m 100

Octahydro-1 ,3,5, 7-tetranitro1,3,5,7-tetrazocine (p-HMX) C4H8N808 11m 102

Oxalic acid hydrate C2H204-2H20 16m 55

Palladium bis-(N-isopropyl-3-

ethylsalicylaldiminate)

,

Pd(Ci2Hi6N0)2 7m 144

Pentaerythritol C5H1204 17m 55

Phencyclidine hydrochloride C17H26C1N 16m 141

Phenobarbital , form III C12H12N203 16m 144

Phenylhydrazine hydrochloride C6H8N2-HC1 17m 5C

Picric acid C6H3N307 16m 56

Pimelic acid (CH2)s(C02H)2 7m 153

Potassium formate-formic acid complex KOzCH-HOaCH 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 9m 96

Potassium sodium tartrate hydrate C4H4KNa06'4H20 15m 55

Procaine hydrochloride C13H21CIN2O2 16m 149

Psilocin C12H16N2O 16m 152

Psilocybin methanolate C13H21N2O4P 16m 154

Reserpine C33H40N2O9 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 (ortho rhombic) 8 56

Sucrose ^12^22011 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 (CH3)3NHC1 9m 113

2,4, 6-Trinitrophenetole C2H50C6H2(N02)3 8m 152

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

Zinc diimidazole chloride Zn(C3H4N2)2Cl2 7m 123

Zinc glutamate hydrate. Zn(02CCllNH2CH2CH2C02) •2H2O 7m 170

106
CUMULATIVE MINERAL INDEX

Vol. or

Sec. Page

Acanthite, AgaS 10 51

Aeschynite CeNbTiOe 3m 24

Alabandite, MnS 4 11

Anatase, TiOj 7m 82

Andradite, Ca3Fe2Si30i2 9 22

Anglesite, PbS04 3 67

Anhydrite, CaS04 4 65

Antarcticite, CaCl2-6H20 12m 16

Antimony, Sb 3 14

Aphthitalite, KsNa (804)2 6m 52

Aragonite, CaCOs 3 53

Aragonite, CaCOs (calculated pattern) 14m 44

Arcanite, K2SO4 3 62

Arsenic, As 3 6 Arsenolite, AS2O3 1 51

Aurostibite, AuSb2 7 18

Avicennite, TI2O3 16m 77 *Azurite, Cu3(0H)2(C03)2 10 30

*Bahianite, Als^geFeo.ogSba.ssOie • 16m 87

Baryte, BaS04 10m 12

Berlinite, AIPO4 10 3 Berndtite, SnS2 9m 57

*Beryl, Be3Al2Si60i8 9 13

Bischofite, MgCl2-6H20 11m 37

Bismite, a-Bi203 3m 17 Bismoclite, BiOCl 4 54

Bismuth, Bi 3 20

Bismuthinite , Bi2S3 5m 13

Bixbyite, a-Mn203 11m 95

"Bloedite, Na2Mg(S04)2 •4H2O 6m 63

Boehmite, A1203-H20 3 38

"'Bombiccite , C20H34 16m 122

Borax, Na2B405(0H)4-8H20 16m 66

Bromargyrite , AgBr 4 46

Bromellite, BeO 1 36

*Brookite, Ti02 3m 57

Brownmillerite , Ca4Al2Fe20io 16m 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, KMgCls -61120 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 Chalcocyanite, CUSO4 3m 29

Chernovite, YASO4 2m 39

Chiolite, Na5Al3Fi4 16m 63

Chloraluminite, A1C13-6H20 7 3 Chlorargyrite , AgCl 4 44

Chloromagnesite , MgCl2 11m 94

Chromatite, CaCr04 7 13

Chrysoberyl, BeAl204 9 10

Cinnabar, HgS 4 17 Claudetite, AS2O3 3m 9 Clausthalite, PbSe 5 38

Natural mineral

Vol. or

Sec. Page

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 (a or low) Si02

(tetragonal, calculated pattern) 15m 180

Cristobalite (P or high) Si02 (cubic) 1 42

Cryolithionite , Li3Na3Al2F]2 9m 23

Cryptohalite, (NH4)2SiF6 5 5 Cuprite, CU2O 2 23

"Derbylite, SbFe4Ti30i3(0H) 16m 89

"''Diamond, C 2 5 "Diaspore, A1203-H20 3 41

Diopside, CaMg(Si03)2 5m 17

"Dravite, NaMg3Al6B3Si6027(0H)4 ... 3m 47

Eitelite, Na2Mg(C03)2 11m 56

Elpasolite, KgNaAlFg 9m 43

"Enstatite, MgSi03 6 32

Epsomite, MgS04-7H20 7 30

Erythrosiderite, K2FeCl5-H20 14m 27

Eskolaite, Cr203 5 22

Ettringite, Ca6Al2S30i8 •3IH2O 8 3 Fairchildite, K2Ca(C03)2 8m 48

Fluorapatite, Ca5F(P04)3 3m 22

Fluorite, CaF2 1 69

Forsterite, Mg2Si04 1 83

Franklinite, ZnJ'e204 9m 60

Fresnoite, Ba2TiSi208 9m 14

Gahnite, ZnAl204 2 38

Galaxite, MnAl204 9 35

Galena, PbS 2 18

Gaspeite, NiCOg Im 36

Geikielite, MgTiOg 5 43

Gersdorffite, NiAsS Im 35

Glauberite, Na2Ca(S04)2 6m 59

Gold, Au 1 33

Goslarite, ZnS04-7H20 8 71

Greenockite, CdS 4 15

Groutite, MnO(OH) 11m 97

Gypsum, CaS04-2H20 17m 16

Halite, NaCI 2 41

"Hartite, C20H34 16m 122

Hausmannite, Mn304 10m 38

"Hemimorphite, Zn4 (0H)2Si207 •H2O .. 2 62

Hetaerolite, ZnMn204 10m 61

"Hexahydroborite, Ca [ B(OH) 4 ] 2 •2H2O 16m 104

Hieratite, KaSiFg 5 50

Hopeite, Zng (PO4 ) 2 * 4H2O 16m 85

Huebnerite, MnW04 2m 24

Humboldtine, FeC204-2H20 10m 24

Humite, Mg7F2Si30i2 Im 30

Hydromolysite, FeCl3-6H20 17m 40

Hydrophilite, CaCl2 Hm 18 Ilmenite, FeTiOg 15m 34

Indialite, Mg2Al4Si50i8 Im 29

lodargyrite, Agl 8 51

Iron, a-Fe 4 3 Jacobsite, MnFe204 9 36

" Julgoldite

,

Ca2Fe3Si30io(0H,O)2(OH)2 10m 72

107
Vol. or

Sec. Page

Kalistrontlte, K2Sr(S04)2 14m 31

Kieserite, MgS04-H20 16m 46

Kremersite, (NH4 , K) 2FeCl 5 -HgO 14m 8 Langbeinite, K2Mg2(S04)3 6m 40

Lautarite, €3(103)2 14m 12

Lead, Pb 1 34

"Leucophanite, NaCaBeFSi206 8m 138

Libethenite, Cu2(0H)P04 ] 7m 30

"Liddicoatite, Ca (Li ,Al)3Al6B3Si6027

(0,0H)3(0H,F) 16m 42

Lime, CaO 1 43

Lime, CaO (calculated pattern) .... 14m 49

'-Linarite, CuPb (OH) 2 (SO4) 16m 34

Litharge, PbO (red) 2 30

Lithiophosphate , Li3P04 4m 21 Loellingite, FeAs2 10 34

Loeweite, Na i2Mg7 (SO4 ) 13 • I5H2O 14m 35

Lopezite, K2Cr207 15m 47

*Loveringite , Ca . 72RE . 33 (Y ,Th ,U

,

Pb) .05Til2 .48Fe3.38Cr2.24Mg,92

Zr.58A1.39V.2iMn,o40.38 16m 106

Macedonite, PbTi03 5 39

Magnes iochromite , MgCr204 9 34

Magnesite, MgC03 7 28

Magnetite, Fe304 5m 31

Malachite, Cu2(0H)2C03 10 31

Malladrite, Na2SiF6 16m 68

Manganolangbeinite , K2Mn2(S04)3 ... 6m 43

Manganosite, MnO 5 45

Marshite, Cul 4 38

Mascagnite, (NH4)2S04 9 8 Massicot, PbO (yellow) 2 32

Matlockite, PbFCl 13m 25

Matteuccite, NaHS04-H20 9m 52

Mayenite, Cai2Ali4033 9 20

Melanterite, FeS04-7H20 8m 38

"Meliphanite

,

Na.63Ca1.37BeAl_13Si1_87O6.25F. 75 8m 135

Metaborite, HBO2 4m 27

Metacinnabar , HgS 4 21

Miargyrite, AgSbS2 5m 49

'-Millerite, NiS Im 37

Minium, Pb304 8 32

Mitscherlichite, K2CuCl4-2H20 9m 34

Molybdenite, M0S2 5 47 Molybdite, M0O3 3 30

Monteponite, CdO 2 27

Montroydite, HgO 9 39

Mullite, Al6Si20i3 3m 3 Nantokite, CuCl 4 35

"Newberyite, MgHP04-3H20 7m 139

Niter, kNOg 3 58

Nitrammite, NH4NO3 7 4 Nitrobarite, Ba(N03)2 11m 14

Norbergite, Mg3F2Si04 10 39

Oldhamite, CaS 7 15

Otavite, CdC03 7 11 Oxammite, (NH4)2C204-H20 7 5 Palladium, Pd 1 21

Palladseite, Pdi7Sei5 16m 139

Palmierite, K2Pb(S04)2 14m 30

"Paratellurite, Te02 10 55

Paratellurite, Te02 7 56

Periclase, MgO 1 37

Perovskite, CaTi03 9m 17 "Phenakite, Be2Si04 8 11 Picromerite, K2Mg(S04)2 •6H2O 8m 54

Vol. or

Sec. Page

"-Pirssonite, Na2Ca(C03)2-2H20 9m 106

Platinum, Pt 1 31

Portlandite, Ca(0H)2 1 58

Potash alum, KAl (SO4) 2

• I2H2O 6 36

Powellite, CaMo04 6 22

Pyrargyrite, Ag3SbS3 5m 51

Pyrite, FeS2 5 29

'Pyroaurite, MgeFe2C03 (OH) le -41120 lOm 104

Pyrolusite, p-Mn02 lOm 39

Pyrope, Mg3Al2(Si04)3 4m 24

Pyrophanite, MnTi03 15m 42

"Quartz, Si02 (a or low) 3 24

Rammelsbergite , NiAs2 10 42

Retgersite, NiS04-6H20 7 36

Rhodochrosite, MnC03 7 32

Romarchite, SnO 4 28

"Roscherite, (monoclinic)

,

Be2Ca(Fe.3Mg.7)2Al .67(P04)3-2H20 16m 96

"Roscherite, (triclinic), Be4Ca2

(Mn3.91Mg.04Ca .05) (Al. i3Fe.42Mn. 12)

(P04)6(0H)4-6H20 . 16m 100

Rutile, Ti02 7m 83

Safflorite, CoFeAs4 10 28

Salammoniac, NH4CI 1 59

Sanbornite, p-BaSi205 13m 10

Sanmartinite , ZnW04 2m 40

Scacchite, MnCl2 8m 43

"Scheelite, CaW04 6 23

Schultenite, PbHAs04 14m 18

Selenium, Se 5 54

Selenolite, Se02 7m 60

Sellaite, MgFg • 4 33

Senarmontite , Sb203 3 31

Shcherbinaite, V2O5 8 66

"Siderite, FeC03 15m 32

Silver, Ag 1 23

Silver, Ag (reference standard) ... 8m 2 *Sjogrenite, Mg6Fe2C03 (OH) is •4H2O 10m 103

Skutterudite, C0AS3 10 21

-"Smithsonite, ZnC03 8 69

Soda alum, NaAl(S04)2-12H20 15m 68

"Sodalite, Na8Si6Al6024Cl2 7m 158

Soda niter, NaN03 6 50

Sphaerocobaltite, C0CO3 10 24

Sphalerite, ZnS 2 16

Spinel, MgAl204 9m 25

Stibnite, Sb2S3 5 6 Stilleite, ZnSe 3 23

Stolzite, PbW04 5m 34

Strontianite, SrCOs 3 56

Struvite, MgNH4P04 •6H2O 3m 41

Sulfur, S (orthorhombic) 9 54

Sylvite, KCl 1 65

Syngenite, K2Ca (SO4) 2 •H2O 14m 25

Szmikite, MnS04-H20 16m 49

Tellurantimony , Sb2Te3 3m 8 -"Tellurite, Te02 9 57

Tellurium, Te 1 26

Tellurobismuthite, Bi2Te3 3m 16

Tenorite, CuO 1 49

Teschemacherite, NH4HCO3 9 5 Thenardite, Na2S04 2 59

Thermonatrite, Na2C03-H20 8 54

*Thomsenolite, NaCaAlF6-H20 8m 132

Thorianite, Th02 1 57

Thortveitite, Sc2Si207 7m 58

Tiemannite, HgSe 7 35

108
Vol. or

Sec. Page

Tin, a-Sn (cubic) 2 12

Tin, p-Sn (tetragonal) 1 24

*Topaz, Al2Si04(F,0H)2 Im 4

Trevorite, NiFe204 10 44

Trippkeite, CUAS2O4 16m 120

*Trona, Na3H(C03)2 •2H2O 15m 71

Tschermigite, NH4A1(S04)2-12H20 ... 6 3

Tungstenite, WSg 8 65

Unnamed mineral, Ki _ leBa _ 72Fe ,36

Tis.ssOis •' ' 16m 147

Uraninite, UO2 2 33

Uvarovite, Ca3Cr2(Si04)3 10 17

*Valentinite, Sb203 10 6

Vanthoffite, Na6Mg(S04)4 15m 72

Villiaumite, NaF 1 63

Vivianite, Fe3(P04)2 •8H2O 16m 38

Wakefieldite, YVO4 5m 59

Willemite, Zn2Si04 7 62

Witherite, BaCOs 2 54

Wulfenite, PbMo04 7 23

Wurtzite, ZnS 2 14

*Xanthoconite, Ag3AsS3 8m 126

Xenotime, YPO4 8 67

Yavapaiite, KFe(S04)2 16m 59

Zinc, Zn 1 16

Zincite, ZnO 2 25

Zinkosite, ZnS04 7 64

*Zircon, ZrSi04 4 68

Zircosulfate, Zr (804)2 •4H2O 7 66

109
NBS-n4A (REV. 2-8C)

U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATA

SHEET fSee instructions)

1. PUBLICATION OR

REPORT NO.

NBS MN 25 Sect. 17

2. Performing Organ. Report No 3. Publication Date

October 1980

4. TITLE AND SUBTITLE

Standard X-ray Diffraction Powder Patterns

Section 17 - Data for 54 Substances

5. AyTHpR(S> Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Camden R.

Hubbard and Simon J. Carmel

6. PERFORMING ORGANIZATION (If joint or other than NBS, see instructions)

NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE

WASHINGTON, D.C. 20234

JCPDS - International Centre

for Diffraction Data,

Swarthmore, PA 19081

7. Contract/Grant No.

8. Type of Report & Period Covered

Final

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Same as above.

10. SUPPLEMENTARY NOTES

Library of Congress Catalog Card Number: 53-61386

I ^ I Document describes a computer program; SF-185, FIPS Software Summary, is attached.

11. ABSTRACT (A 200-word or less factual summary of most significant information. If document includes a si gnificant

bibliography or literature survey, mention it here)

Standard x-ray diffraction patterns are presented for 54 substances. The

experimental x-ray powder diffraction patterns were obtained with an x-ray

dif fractometer. All d-values were assigned Miller indices determined by

comparison with computed interplanar spacings consistent with space group

extinctions. The densities and lattice constants were calculated and the

refractive indices were measured in some cases.

12. KEY WORDS (Six to twelve entries; alpl^abetical order; capitalize only proper names; and separate key words by semicolon s) Crystal structures; lattice constants; powder patterns; reference intensities;

standard; x-ray diffraction.

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Cell dimensions, space group or diffraction aspect, the number of formula units per unit

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