NBS MONOGRAPH 25—SECTION 2

Standard X-ray Diffraction

Powder Patterns

U.S. DEPARTMENT OF COMMERCE

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UNITED STATES DEPARTMENT OF COMMERCE • Luther H. Hodges, Secretary

NATIONAL BUREAU OF STANDARDS • A. V. Astin, Director

Standard X-ray Diffraction

Powder Patterns

Howard E. Swanson, M. C. Morris,

Roger P. Stinchfield, and Eloise H. Evans

National Bureau of Standards Monograph 25 —Section 2

Issued May 3, 1963

For sale by the Superintendent of Documents, U.S. Government Printing Office Washington 25, D.C. - Price 35 cents
Library of Congress Catalog Card Number: 53-61386
Contents

Page

Introduction 1 Standard X-ray powder patterns:

Aluminum Metaphosphate, Al (P03)3(cubic) 3

*Antimony(III) Fluoride, SbFs (orthorhombic) . 4

*Barium Arsenate, Ba3(As04)2) (trigonal) 6

Barium Perchlorate Trihydrate, Ba(C104)2-3H20

(hexagonal) 7

*Cadmium Cyanide, Cd(CN)2 (cubic) 8

Cadmium Tungstate, CdW04 fmonoclinic) 8

*Cesium Bromoosmate(IV), Cs20sBr6 (cubic) 10

*Cesium Cliloroosmate(IV), Cs20sCl6 (cubic) 11

Chromium Orthophosphate, alpha, CrP04

(orthorhombic) 12

*Cobalt Mercury Thiocyanate, Co[Hg(CNS)4]

(tetragonal) 13

Cobalt Sulfate, beta, C0SO4 (orthorhombic) 14

*Dysprosium Gallium Oxide 3:5, DyGa2(Ga04)3

(cubic) 15

*Erbium Manganite, ErMn03 (hexagonal) 16

*Europium Gallium Oxide 3:5, Eu3Ga2(Ga04)3

(cubic) 17

*Gadolinium Gallium Oxide 3:5, Gd3Ga2(Ga04)3

(cubic) 18

*Lithium Arsenate, Li3As04 (orthorhombic) 19

*Lithium Trimetaphosphate Trihydrate,

LisPsOg-SHaO (trigonal) 20

•Not previously listed in the Powder Data File.

Page

*Lithium Tungstate Hemihydrate, Li2W04-y2H20

(cubic) 20

*Lutetium Gallium Oxide 3:5, Lu3Ga2(Ga04)3

(cubic) 22

*Lutetium Manganite, LuMnOs (hexagonal) 23

Manganese (II) Tungstate (huebnerite) , MnW04

(monoclinic) 24

*Mercury(II) Fluoride, HgF2 (cubic) 25

Nickel Sulfate, NiS04 (orthorhombic) 26

*Nickel Tungstate, NiW04 (monoclinic) 27

Potassium Chlororhenate, K2ReCl6 (cubic) 28

Potassium Nitroso Chlororuthenate, K2RUCI6NO 29

*Rubidium Perchlorate, RbC104 (orthorhombic) _ 30

*Rubidium Periodate, RbI04 (tetragonal) 31

*Silver Selenate, Ag2Se04 (orthorhombic) 32

*Sodium Cyanate, NaCNO (trigonal) 33

Sodium Orthotungstate(VI) Dihydrate,

Na2W04-2H20 (orthorhombic) 33

Sodium Tetrametaphosphate Tetrahydrate, high

form Na4P40i2-4H20 (triclinic) 35

Strontium Arsenate, Sr3(As04)2 (trigonal) 36

*Thallium(I) Arsenate, TI3ASO4 (hexagonal) 37

Thallium (I) Perchlorate, TICIO4 (orthorhombic) 38

Yttrium Arsenate, YAsO^ (tetragonal) 39

Zinc Tungstate, ZnW04 (monoclinic) 40

Cumulative index to Circular 539, Volumes 1, 2, 3,

4, 5, 6, 7, 8, 9, and 10, and Monograph 25,

Sections 1 and 2 41

Standard X-ray Diffraction Powder Patterns

The ten previous volumes in this series are available from the Superintendent of Documents, U.S. Government

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• • • 111
Errata

Circular 539

Vol. 8, Page 3, the hkl 314 should be 202.

Page 71, space gi-oup R3 should be R3m (No. 160).

Vol. 10, Page 32, the hkl 186 should be deleted.

Page 51, the hkl 201 should be 004.

Page 52, space group P2i/n is correct as originally printed.

Monograph 25

Sec. 1, Page 17, the radiation indicated in the table heading should be Co not Cu.

Page 37, under NBS sample, chalcopurite should be chalcopyrite.

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 2—Data for 37 Substances

Howard E. Swanson, Marlene Cook Morris, ^

Roger P. Stinchfield, ^ and Eloise H. Evans ^

Standard X-ray diffraction powder patterns are presented for the following thirty-seven

substances: Al (P03)3, SbFj*, BasCAsO^z*, BaCClOOz-SHzO, Cd(CN)2*, CdWO,, CssOsBre*

CsjOsCls*, a-CrP04, Co[Hg(CNS),]*, /3-CoS04, DyjGaj (GaOOs*, ErMnO,* EujOaj (Ga04)3*,

Gd3Ga2(Ga04)3*, LisAsOi*, LiaPsOg-SHjO*, Li2W04->ffl20*, Lu3Ga2(Ga04)3*, LuMn03*,

MnWO* (huebnerite), ILgF^*, NiSO,, NiWOi*, K2ReCl6, K.RuClsNO*, RbClO^*, RblOi*,

AgzSeOi*, NaCNO*, Na2W04-2H20, /3-Na4P40i2-4H20, SrsCAsOOs*, TljAsOi*, TICIO,*,

YASO4, ZnW04*. Eleven are to replace patterns already given in the X-ray Powder Data

File issued by the American Society for Testing and Materials, and twenty-six patterns

indicated by asterisks are for substances not previously included. The X-ray Powder Data

File is a compilation of diffraction patterns from many sources and is used for the identification of unknown crystalline materials by matching spacing and intensity measurements.

The patterns were made with a Geiger counter X-ray diffractometer, using samples of high

purity. When possible, the d-values were assigned Miller indices determined by comparison

with calculated interplanar spacings and from space group extinctions. The densities

and lattice constants were calculated, and the refractive indices were measured whenever

possible.

INTRODUCTION

The National Bureau of Standards in its program^ for the revision and evaluation of published

X-ray data for the X-ray Powder Data File

presents data in this report for 37 compounds.

This paper is the twelfth of a series of "Standard

X-ray Diffraction Patterns."^ The designation

"Circular 539" used previously has been discontinued in favor of the new series, "Monograph

25." This is the second section of the new series

Monograph 25. Included are patterns recommended to replace data on 11 cards now present

in the file. The patterns for 26 compounds not

1 Research Associate at the National Bureau of Standards sponsored by

the Joint Committee on Chemical Analysis hy Powder DilTraction Methods.

2 This project is sponsored by the Joint Committee on Cliemical Analysis

by Powder Diffraction Methods. This committee is composed of members

from the American Society for Testing and Materials, the American Crystallographic Association, and the British Institute of Physics. Financial support is also provided by the National Bureau of Standards.

3 other volumes were published as follows: Vol. 1 and Vol. 2, June 1963; Vol. 3, June 1954; Vol. 4, March 1955; Vol. 5, October 1955; Vol. 6, Sep- tember 1956; Vol. 7, September 1957; Vol. 8, April 1959; Vol. 9, February

1960; Vol, 10, September 1960; and Monograph 25—Section 1, March 1962,

included in the file have been added. These

compounds are: antimony (III) fluoride, barium

arsenate, cadmium cyanide, cesium bromoosmate(IV), cesium chloroosmate(IV), cobalt

mercury thiocyanate, dysprosium gallium oxide

3:5, erbium manganite, europium gallium oxide

3:5, gadolinium gallium oxide 3:5, lithium

arsenate, lithium trimetaphosphate trihydrate,

lithium tungstate hemihydrate, lutetium gallium

oxide 3:5, lutetium manganite, mercury (II)

fluoride, nickel tungstate, potassium nitroso chlororhenate, rubidium perchlorate, rubidiimi periodate, silver selenate, sodium cyanate, strontium

arsenate, thaUium arsenate, thallium (II) perchlorate, and zinc tungstate.

The experimental procedure and general plan

of these reports have not changed greatly from

previous volumes of the NBS Circular (see ref. 3).

However, the basic technique is discussed, in this

section, with minor changes that affect this

volume's data.

1
Powder Data cards. Each section of this

Monograph contains a table hsting the Powder

Data File card, numbers, the three strongest lines,

the radiation used, and the literatiu-e references

for each card. Cards listed through the 1961

index to the Powder Data File [1] * are included in

the table.

Additional published patterns. Literature ref- erences for patterns that have not been published

as Powder Data cards are listed.

NBS sample. Many of the samples used to

make NBS patterns were special preparations of

high purity obtained from a variety of sources or prepared in small quantities in our laboratory by

J. de Groot. Unless otherwise noted, the spectrographic analyses were done at NBS after

recrystallization or heat treatment of the sample.

The limit of detection for the alkali elements was

0.05 percent for the spectrographic analysis. A

phase piu"ity check was made on the nonopaque

materials dinging the refractive index determination. Another check of phase purity was usually

provided by the X-ray pattern itself, when it was

indexed by comparison with theoretical (i-values.

Treating the sample by appropriate annealing,

recrystallization, or beating in hydrothermal

bombs improved the quality of most of the patterns. The refractive index measurements were made by grain-immersion methods in white light

using oils standardized in sodium light.

X-ray techniques. At least three patterns for

intensity measurements were prepared to check

reproducibility. Samples that gave satisfactory

intensity patterns usually had an average particlesize smaller than 10/x, as discussed by Alexander,

Klug, and Kummer [2]. A special cell with one

open end was used for making intensity measurements. The sample was prepared by clamping

a flat piece of glass temporarily over the surface

of this holder, and while it was held in a vertical

position, the sample was drifted in from the open

end. The glass was then carefully removed so that the surface of the sample could be exposed

to the X-ray beam. To powders that did not

flow readily or were prone to orient excessively,

approximately 50-volume percent of finely groimd

silica-gel was added as a diluent. The intensities

of the diffraction lines were measured as peak

heights above background and were expressed in

percentages of the intensity of the strongest line.

Additional patterns were obtained for d-Yalue

measurements. Specimens for these patterns

were prepared by packing into a shallow holder a sample containing approximately 5-wt percent

tungsten powder that served as an internal

standard. When tungsten lines were found to

* Figures in brackets indicate the literature references at the end of each

section of this paper.

interfere, 25 percent silver was used in place of

tungsten. The lattice constants used were 3.1648

A for tungsten and 4.0861 A for silver at 25 °C,

as determined by Jette and Foote [3]. All of the

NBS patterns, unless otherwise noted, are made

at 25° C, using either filtered copper or cobalt

radiation (K^i), having the wavelengths 1.5405 A,

and 1.7889 A, respectively.

Structural data. For cubic materials a value

for the lattice constant was calculated for each

d-vedue. However, the constant reported is that

obtained by averaging the last five lines because

of the greater accuracy of measurement in the

large-angle region of the pattern. The unit cell values for each noncubic substance were determined by means of a least-squares calculation

made on the IBM 7090, using those c?-values for

which only one set of Miller indices coidd be

assigned. The number of significant figures re- ported for c^-values in the NBS pattern is limited

by the quality of each sample as indicated by

residuals obtained from least squares refinement.

Published unit cell data in kX units were

converted to angstrom units as recommended in

1946 [4] using the factor 1.00202.

The space groups are listed with both the

Schoenfiies and short Hermann-Mauguin symbols

as well as the space group nmnbers given in the

International Tables for X-ray Crystallography

[5].Orthorhombic cell dimensions are presented

according to the Dana convention [6] fe>a>c.

The densities calculated from the NBS lattice

constants are expressed in grams per cubic centimeter and are based upon atomic weights re- ported by E. Wichers [7] in 1956 and the Avogadro

number (6.0240X10^^) reported by Straumanis

[8] in 1954.

References

[1] Index to the X-ray Powder Data File, American Society for Testing and Materials, Philadelphia, Pa.

(1961).

[2] L. Alexander, H. P. Klug, and E. Kummer, Statistical

factors affecting the intensity of X-rays diffracted by

crystalline powders, J. Appl. Phys. 19, No. 8, 742-

753 (1948).

[3] E. R. Jette and F. Foote, Precision determination of

lattice constants, J. Chem. Phys. 3, 605-616 (1935).

[4] Anonymous, The conversion factor for kX units to angstrom units, J. Sci. Inst. 34, 27 (1947).

[5] International Tables for X-ray Crystallogi-aphy, 1,

1952.

[6] Dana's System of Mineralogy, 1, 6 (1944).

[7] E. Wichers, Report of the Committee on Atomic

Weights of the American Chemical Societj', J. Am.

Chem. Soc. 78, 3235 (1956).

[8] M. E. Straumanis, Remarks concerning the absolute

value of Avogadro's number, Phvs. Rev. 95, 566

(1954).

2
Aluminum Metaphosphate, A1(P03)3 (cubic)

Powder Data cards

Card

number

Index

lines Radiation Source

2-0246 4. 38

3. 70

3. 41

MolybdenumHendricks and

Wyckofl [1] 1927.

Additional published patterns. None.

NBS sample. The sample of aluminum metaphosphate was made at NBS by adding fine

7-AI2O3 powder to hot HPO3. The sample was

then heated to fume off the excess acid. Spectrographic analysis showed the following impurities:

0.01 to 0.1 percent each of silicon and platinum;

and 0.001 to 0.01 percent each of barium, iron,

magnesium, nickel, lead, and antimony.

The sample is colorless. The index of refraction is 1.545.

The c^-values of the three strongest lines are: 4.34, 3.43, and 3.67 A.

Structural data. Hendricks and Wyckoff [1]

determined in 1927 that aluminum metaphosphate

has the space group T^—l43d (No. 220) and

16[A1(P03)3] per unit ceU;

PRThe lattice constant reported by Hendricks and

Wyckoff has been converted from kX to angstrom

units for comparison with the NBS value.

Lattice constants

A

1927 Hendricks and Wyckoff [1] 13.66

1962 National Bureau of Standards- 13.729 at 25 °C

The density of aluminum metaphosphate calculated from the NBS lattice constant is 2.709

g/cm^ at 25 °C.

Reference

1] S. B. Hendricks and R. W. G. Wyckoflf, The space

group of aluminum metaphosphate, Am. J. Sci. 313

No. 13, 491-496 (1927).

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard,

tungsten, a = 3. 1648 A

d I a

A A

01

1

5. 61 25 13. 73

OOfi 4. 85 17 13. 72

diU 4. 34 100 13. 72

0. 0 / 0 / 1 Q 79

400 3. 432 62 13. 73

iZO 3. 070 30 13. 73

QQO OOA 2. 927 46 13. 73

A 00 2. 801 5 13. 72

OIU 9Si 10. / 0

521 2. 507 13 13. 73

OoU 2. 354 22 13. 73

All oil 2. 227 17 13. 73

2. 171 11 13. 73

0 io. /o

631 2. 024 2 13. 73

AAA 4:4:4 1. 981 9 13. 72

Ti n / lU 1. 941 7 13. 72

D4U 1. 903 6 13. 72

'701 11. SfiQ ooy 1 ft 1 ^ 7^

642 1. 835 2 13. 73

/ 1. 743 13 13. 73

CI 1 oil 1. 6900 2 13. 73

OZU 1. 6648 14 13. 728

DOO 11. AAI U'iiZ9 D

1 Q 7*30 Io. / oU

822 1. 6179 12 13. 728

QQ 1 00 i 1. 5963 18 13. 732

'7 ceo 1. 5549 2 13. 732

1. 5349 1 13. 729

1. lyoo 1 1 lo. 1 ^ 7^n #oU

921 1. 4803 10 13. 728

you 1. 4473 11 13. 730

yoZ 1. 4161 7 13. 730

QA A o44 1. 4013 3 13. 730

941 1. 00 1 u 0 10. / 01

10-00 1. 3730 1 13. 730

iU* 1 • i 1. 3594 2 13. 729

1 n 0 n 1. 3462 5 13. 729

you 1. 3333 2 13. 727

lU-o- i 1. 3092 7 13. 731

871 1. 2860 5 13. 731

IU-4'U 1. 2748 2 13. 730

1 0 Q Q 1. 2641 4 13. 732

^ Ci A 0 1. 2532 1 13. 728

1 1 1 n J. i •! -U 1. 2433 7 13. 733

11-2-1 1. 2231 8 13. 729

880 1. 2135 <1 13. 729

11-3-0 1. 2042 3 13. 730

11-3-2 1. 1862 6 13. 731

10-60 1. 1772 1 13. 728

11-4-1 1. 1688 3 13. 730

3
Aluminum Metaphosphate, A1(P03)3 (cubic) —Continued

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard,

tungsten, a = 3.1648 A

d I a

A A

10- 6-2 1. 1605 5 IS. 731

965 \. 1522 2 13. 730

12- 1-1 1. 1364 8 IS. 731

12- 2-0 1. 1287 <1 13. 731

11- 5-2 1. 1212 2 is! 731

12- 2-2 1. 1137 2 13. 731

12- 3-1 L 1064 1 13. 730

11. 6-1 1. 0924 1 13. 731

12- 4-2 1. 0722 1 13. 731

11- 6-3 1. 0657 1 is! 731

10- 8-2 1. 0594 2 13. 731

IS- 1-0 l! 0529 <1 13. 729

IS- 2-1 1. 0409 1 13. 730

12- 4-4 1. 0348 <1 13. 728

IS- 3-0 1. 0291 <1 is! 730

IS- 3-2 1. 0177 13. 730

12- 6-2 1. 0121 1 13. 729

13- 4-1 1. 0067 6 13. 730

8S58 0. 9910 <1 13. 732

13- 5-0 . 9857 5 13. 729

14- 1-1 . 9759 1 13. 732

14- 2-0 . 9709 2 13. 731

12- 7-S . 9661 1 13. 731

14- 3-1 . 9567 S 13. 731

12. 8-0 . 9521 <1 13. 731

IS- 5-4 . 9475 3 13. 731

14- 3-3 . 9385 1 13. 729

14- 4-2 . 9343 1 13. 731

13- 7-0 . 9299 3 13. 730

14- 5-1 . 9215 3 13. 730

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard,

tungsten, a = 3.1 648 A

d I a

A A

12- 8 4 . 917S <1 13. 729

15- 2 1 . 9051 3 13. 727

15- 3 0 . 8975 2 13. 729

14- 6 2 . 8937 2 13 729

15- 3 2 ! 8900 <1 is! 730

15- 4 1 . 8826 3 13. 730

12 10 0 . 8789 2 13. 729

14- 7 1 . 8754 2 13. 730

14- 6 4 8718 1 13. 729

15 5 0 ! 8683 2 is! 729

15 5 2 . 8615 3 13. 730

16 1 1 . 8547 3 13. 729

16- 2 0 . 8513 3 13. 727

15 6 1 . 8482 3 IS. 729

16 S 1 ! 8418 5 is! 729

15 6 3 . 8356 3 IS. 730

16 4 0 . 8325 1 13. 730

16 3 3 ! 8295 4 is! 731

1 ^ 7* 2 . 8235 4 13. 730

16 5 1 . 8176 3 13. 730

15 6 5 . 8118 2 13. 729

17 1 0 . 8062 3 13. 729

17 2 1 . 8007 1 13. 729

16 6 2 . 7980 2 13. 729

17 S 0 . 7953 1 13. 729

17 3 -2 . 7900 1 13. 729

17 4 -1 . 7849 5 13. 730

16 6 4 . 782S 3 13. 729

Averaf;e value of last five lines . - 13. 729

Antimony(III) Fluoride, SbFs (orthorhombic)

Powder Data cards. None. Data on ASTM

card 1-0523 probably represents oxyfluoride

produced when antimony fluoride is exposed in

air.

Additional published patterns. None.

NBS sample. Tiie sample of antimony fluoride

was obtained from City Chemical Company,

New York, N.Y. The material was sublimed

at NBS and then mixed with silicone grease to

protect it from oxidation in the atmosphere.

Spectrographic analysis showed the following

impurities: 0.001 to 0.01 percent each of aluminum

iron, magnesium, and silicon.

The sample was colorless and optically negative

with the indices of refraction !N„= 1.587, N;3 =

1.615, and N^=1.629. 2V='-65°.

The (^-values of the three strongest lines are: 3.621, 3.728, and 1.810 A.

Structural data. Bystrom and Westgren [1]

in 1943 determined that antimony(III) fluoride

is orthorhombic with the space group Clt—Ama2

(No. 40) and 4(SbF3) per unit cell. The lattice

constants of Bystrom and Westgren have been

converted from kX to angstrom units for comparison with the NBS values.

Lattice constants

a b c

A A A

1943 Bystrom and 7. 26 7. 51 4. 96

Westgren.

1962 National Bureau 7. 241 7. 456 4. 940 at

of Standards. 25 °C

4
Antimony (III) Fluoride, SbFs (orthorliombic) —Continued

The density of antimony (III) fluoride calculated from the NBS lattice constants is 4.451

g/cm^ at 25 °C.

hU

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard

tungsten, a =3. 1648 A

d I

A

020 3. 728 53

200 3. 621 100

111 3. 580 16

120 3. 317 3

211 2. 718

220 2. 597 4

002 2. 472 <1

031 2. 221 6

131 2. 123 6

311 2. 083 5

022 2. 059 1 202 2. 040 1 320 2. 028 2 122 1. 981 1 231 1. 892 2

040 1. 864 8

400 1. 810 21

140 1. 805 13

222 1. 790 2

240, 411 1. 656 1

331 1. 633 2 420 1. 6284 2 113 1. 5697 <1

322 1. 5668 1 042 1. 4875 <1

340 1. 4756 1 402 1. 4605 <1

142 1. 4580 1 051 1. 4279 2

431 1. 4028 1

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard

tungsten, a == 3.1648 A

d /

A

1 "^1 JLUl 1. 4003 2

94-9 1. 3760 <1

Olf^l 1i 1. 3661 3

4-99 1. 3594 <1

520 1. 3503 <1

1 'i'^ 1. 3486 <1

0 1 o 1. 3379 <1

1. 3282 2

4.4.0 1. 2986 <1

233 1. 2834 <1

^49 1. 2667 <1

004 1. 2348 <1

oo ± 1. 2286 <1

1 fiO 1. 2249 1 531 1. 2130 <1

fion 1. 2069 4 ooo 1. 1930 <1

"199 1. 1841 <1

094 1. 1724 <1

204 1. 1695 <1

fil 1 1. 1584 <1

1 94 1. 1566 <1

fi90 1. 1484 3

1. 1433 <1

451 1. 1208 <1

994 1. 1155 <1

\JtJOj 0\J\J 1. 1049 <1

1 fi9 1. 0971 <1

602 1. 0844 <1

513 1. 0760 <1

631 1. 0605 <1

253 1. 0573 <1

071, 622 1. 0413 1 542 1. 0376 <1

Reference

[1] A. Bystrom and A. Westgren, X-ray analysis of antimony trifluoride, Arkiv. Kemi, Mineral. Geol. 17B,

No. 2, 1-8 (1943).

5
Barium Arsenate, Ba3(As04)2 (trigonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of barium arsenate

was prepared at NBS by reacting solutions of

barium chloride and arsenic (V) acid. The precipitate was washed several times, dissolved in

nitric acid, reprecipitated by addition of ammonia,

and heated at 1,000 °C for 1 hr. Spectrographic

analysis showed the following impurities: 0.01 to

0.1 percent each of calcium and strontium; and

0.001 to 0.01 percent each of aluminum, chromium, lead, megnesium, and sUicon.

The sample was colorless and too fine-grained

to allow determination of the indices of refraction.

The (i-values of the three strongest lines are: 3.24, 2.888, and 2.1532 A.

hkl

(hex.)

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a=3.1648 A

a

003 7. 08 <1

101 4. 88 4

104 O. D4 / 015 Q O/l O. Z4t lUU

110 Z. ooo oy

021 9^, '4:0^ 11 202 2. 433 6

009 2. 356 7

024 2. 260 7 116 2. 2360 1

205 2. 1532 43

l-OlO 1. 9521 26

211 1. 8819 2

119 1. 8246 8

214 1. 7797 2

125 1. 7262 30

300 1. 6667 16

0-2.10 1. 6168 11 2-0-11 1. 5258 <1

0-1.14 1. 4491 4

220 1. 4433 13

21-10 1. 4108 18

309 1. 3606 2

134 1. 3421 <1

315 1. 3180 12

2-0-14 1. 2957 2 1-1-15 1. 2696 11 229 1. 2306 3

404 1. 2166 <1

045 1. 1990 5

1-2-14 1. 1816 3

0-2-16 1. 1705 <1

1-3-10 1. 1605 9

235 1. 1073 6

410 1. 0911 6

Structural data. Durif [1] in 1959 determined

that barium arsenate is isostructural with_ barium

phosphate, with the space group Dfd— R3rQ (No.

166) and l[Ba3(As04)2] per rhombohedral unit

cell or 3[Ba3(As04)2] per hexagonal unit cell.

Lattice constants

a c

A A

1959 Durif [1] 5. 753 21. 18

1962 National Bureau of 5. 774 21. 204

Standards. at 25 °C

hkl

(hex.)

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a=3.1648 A

d I

A

3-0-15,413 1. 0780 10

4-0-10 1. 0767 5

0-1-20 1. 0370 2

3-1-14 1. 0228 1 2-2-15,0-0-21 1. 0096 6

3-2-10 1. 0090 7

419 . 9901 2 2-0-20 . 9761 1 505 . 9736 2

0-4-14 . 9638 2

330,3-0-18 . 9621 3

2-1-19 . 9611 4

422 . 9410 <1

244 . 9305 1 1-2-20 . 9246 4

425 . 9224 7

2-3-14 . 9144 3

0-5-10 . 9045 2

339 . 8909 1 0-0-24 . 8836 <1

155 . 8786 4

1-3-19 . 8695 3

4.1.15,3-0-21 . 8636 10

3-3.12,1-1-24 . 8449 3

3-1-20 . 8424 3

1-0-25 . 8362 1 5-0-14 . 8344 2

600 . 8334 2

5-1-10 . 8269 4

0-4-20 . 8086 1 345 . 8070 4

0-1-26 . 8050 3

0-2-25 . 8032 1 520 . 8007 6

3-2-19 . 8000 3

523,3-3-15 . 7955 4

609 . 7857 1 30-24 . 7807 3

6
The density of barium arsenate calculated

from the NBS lattice constants is 5.612 g/cm^ at

25 °C.

Barium Perchlorate Trihydrate,

Powder Data cards

Card

number

Index

lines Radiation Source

1-0931 2. 90

3. 65

2. 14

Molybdenum Hanawalt, Rinn, and

Frevel [1] 1938.

Additional published patterns. None.

NBS sample. The sample of barium perchlorate trihydrate was prepared at NBS by the

reaction of solutions of barium carbonate and

perchloric acid. The sample was purified by

recrystallization. Speetrographic analysis showed

the following impurities: 0.001 to 0.01 percent

each of aluminum, calcium, chromium, iron,

magnesium, and sodium.

The sample was colorless and optically negative

with the refractive indices No= 1.533 and Ne=

1.532.

The fZ-values of the three strongest lines are: 3.646, 2.912, and 4.84 A.

Structural data. West [2] in 1934 determined

that barium perchlorate trihydrate is hexagonal

with the space group Q—P63 (No. 173) or Qh—

P6,/m (No. 176) and 2[Ba(C104)2-3H20] per unit

cell. The unit cell measurements of West [2]

have been converted from kX to angstrom units

for comparison with the NBS values.

Lattice constants

a c

A A

1934 West [2] 7. 295 9. 659

1960 Mani and Ramaseshan 7. 278 9. 64

[3]. 1962 National Bureau of 7. 294 9. 674 at Standards. 25 °C.

The density of barium perchlorate trihydrate

calculated from the NBS lattice constants is 2.907 g/cm^ at 25 °C.

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel,

Chemical analysis bv X-raj' diffraction, Ind. Eng.

Chem. Anal. Ed. 10,-457-512 (1938).

[2] C. D. West, Crystal structures of some hydrated

compounds, Z. Krist. 88A, 198-204 (1934).

[3] N. V. Mani and S. Ramaseshan, The crystal structure

of barium perchlorate trihydrate Ba(C104)2-3H20

and the crystal coordination of Ba++ ion, Z. Krist.

114, 200-214 (1960).

Reference

[1] A. Durif, Structure cristalline des orthovanadates et- orthoarseniates de baryum et de strontium, Acta^

Cryst. 12, 420-421 (1959).

Ba(C104)2-3H20 (hexagonal)

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

rll\,t Internal standard,

tungsten, a == 3.1648 A

d I

A ; 100 6. 32 34

002 4. 84 36

'

3. 839 15 i 1 iU 3. 646 100

3. 158 3

I 112 2. 912 73 i 103 2. 872 14

909 2. 644 13 no/I 2. 422 8

910 2. 389 14

211 2. 317 6

104, 203 2. 257 21

91 9 2. 142 25

^00 2. 106 18

^01 2. 057 2

114 2. 015 9

302 1. 9309 19

904. 91^ 1. 9197 6

99n 1. 8250

1. 7524 8

222 1. 7069 5

214 1. 6995 2

1. 6485 4

^19 1. 6472 2

Qnj. 99^ 1. 5880 7

400 1. 5790 5

106 1. 5618 2 AOlJ. 1! 5582 1 ^1OxO^ 1. 5388 <1

AO9 1. 5009 6

116 1. 4744 9

224 1. 4564 3

^90 1! 4493 2 90 1. 4363 5

1. 4196 3

322 1. 3875 5 410 1.0/ oU Qy

91 A 1. 3364 5

AT 9 1. 3253 7 AOA ^9*? 1. 3222 5

306 1. 2801 2 500 1. 2629 <i

324 1. 2432 2 502 1. 2221 3

330 1. 2157 1

226 1. 2080 1 414 1. 1975 2 316 1. 1866 2

332 1. 1787 3

7
Cadmium Cyanide, Cd(CN)2 (cubic)

Powder Data cards. None.

Additional published pattern. Shugam and

Zhdanov [1] 1945.

NBS sample. The sample of cadmium cyanide

was prepared at NBS from solutions of cadmium

chloride and sodium cyanide. Spectrographic

analysis showed the following impm-ities: 0.1 to

1.0 percent sodium; 0.01 to 0.1 percent silicon;

and 0.001 to 0.01 percent each of aluminum,

barium, calcium, iron, nickel, and titanium.

Tb e color of the sample was white. The index of

refraction is 1.443.

The c?-values of the three strongest lines are: 4.458, 2.575, and 2.229 A.

Structural data. Shugam and Zhdanov [1] in

1945 determined that cadmium cyanide has_the

cuprous oxide structure, the space group TJ —P43m

(No. 215), and 2[Cd(CN)2] per unit cell. The

lattice constant reported by Shugam and Zhdanov

has been converted from kX to angstrom units for

comparison with the NBS value.

Lattice constants

A

1945 Shugam and Zhdanov [1] 6. 33

1962 National Bureau of Standards. 6.3050 at 25 °C

The density of cadmium cyanide calculated

from the NBS lattice constant is 2.178 g/cm^ at

25 °C.

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal standard.

hkl tungsten, a=3.1648 A

d I a

A

1 1 n 4. 458 100 6. 305

111 3. 640 7 6. 304

200 3. 153 6 6. 306

211 2. 575 32 6. 307

220 2. 229 13 6. 305

310 1. 9935 8 6. 304

222 1. 8198 2 6. 304

321 1. 6851 6 6. 3050

411 1. 4860 3 6. 3046

420 1. 4099 <1 6. 3052

332 1. 3442 <1 6. 3049

510 1. 2366 1 6. 3054

Average value of last five lines. _ . 6. 3050

Reference

[1] E. A. Shugam and G. S. Zhdanov, The crystal struc- ture of cadmium cyanide, Acta Physicochim.

U.R.S.S. 20, 247-252 (1945).

Cadmium Tungstate, CdW04 (monoclinic)

Powder Data cards

Card

number

Index

lines Radiation Source

1-0488

3. 80

3. 05

2. 53

Molybdenum Hanawalt, Rinn,

and Frevel [1] 1938.

Additional published patterns. Coing-Boyat

[2] 1961.

NBS sample. The sample of cadmium tungstate was prepared at NBS from solutions of

cadmium chloride and sodium tungstate. The

precipitate was washed several times and then

heated to 800 °C for 10 min. Spectrographic

analysis showed the following major impurities:

0.01 to 0.1 percent sodium; and 0.001 to 0.01

percent silicon.

The color of the sample was pale yellow. The

indices of refraction could not be determined

because the sample was too fine-grained.

The (i-values of the three strongest lines are: 3.077, 3.020, and 2.536 A.

Structural data. Coing-Boyat [2] in 1961

determined that cadmium tungstate is monochnic

with the most probable space group C|h — P2i/c

(No. 14) and 2 (CdW04) per unit cell and is probably isostructural with. MgW04. Sharp [3] in 1960 reported that the most probable space

group for cadmium tungstate was Cfh — P2i/b

(No. 14); however, this space group did not

completely satisfy our data.

8
Cadmium Tungstate, CdWOi (monoclinic) —Continued

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

silver, a = 4.0861 A

d /

A

010 5. 87 7 100 5. 04 12

110 3. 818 43

Til 3. 077 100

111 3. 020 87

020 2. 928 26

021 002 2. 536 54

200 2. 514 23

210 2. 311 2 T02 2. 287 3

121 2. 253 7

Tl2 2. 131 5 112 2. 092 8

030 1. 953 2 022 1. 916 18

220 1. 907 17

130 1. 820 23

202 1. 809 17

221 1. 797 16

221 1. 774 21

202 1. 762 13

131 1. 718 4

131 1. 708 2 212 i. D8o

310 1. 611 3

T13 1. 557 15

311 1. 546 14

230 1. 543 12

222 1. 539 10

113 1. 535 13

311 1. 524 12

222 1. 510 6

132 1. 485 10

132 1. 472 11

040, 023 1. 465 9

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal Standard,

silver, a = 4.0861 A

d

A

1. 414 1

04-1 1. 407 11

^ 1.0 1. 379 2

^1 9 1 375 2

T41 1. 357 1

1 4.1 1. 353 <1

91 ^ 1. 350 <1

'i^ O J. 9^ 1. 345 1 9S9 1. 327 1 232 1. 308 <1

Ct'i'i 99*^ 1. 278 3

ooyj 1. 272 6

f149 1. 268 5

1. 257 5 223 1. 254 4

OO

1

1. 238 <1

941 1. 2319 7

941 1. 2242 6

Tl1 JL 4^ 1. 2105 <1

313 1. 1814 3

094. 1 I53g 2

490 1. 1549 3

•^l 1. 1522 5 ^^9 1. 1458 6

204 1. 1435 1

051 1. 1415 6

421 1. 1321 3

332, 124 1. 1285 4

204 1. 1206 3

323 1. 1149 4

043 1. 1072 3

Lattice constants

1960

1961

1962

Sharp [3] Coing-Bovat [2]_ _ . _ . National Bureau of Standards

a b c /3

A

5. 028

5. 026

5. 029

A

5. 868

5. 854

5. 859

A

5. 076

5. 074

5. 074

91. 45°

91. 48°

91. 47 at 25 °C

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis bv x-ray diffraction, Ind. Eng. Chem,

Anal. Ed. 10, 457-512 (1938).

The density of cadmium tungstate calculated ^2] J. Coing-Boyat Groupe d'espace du tungstate de

! j-1 ATT>o 1 i-L- i i

• o nno / 3 j- cadmium, CdW04, Acta Cryst. 14, 1100 (1961). from the NBS lattice constants is 8.003 g/cm^ at [3] w. E. Sharp, Lattice constants of CdWO,, Z. Krist.

25 °C. 114, 151-153 (1960).

9
Cesium Bromoosmate (IV), Cs20sBr6 (cubic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium bromoosmate was prepared at NBS by K,. Johannesen

from solutions of cesium bromide and bromoosmic

acid. Spectrographic analysis showed the only

major impurity to be 0.001 to 0.01 percent of

sodium.

The color of the sample was very dark brown.

The refractive index could not be determined

because the sample was too fine-grained.

The (/-values of the three strongest lines are: 2.665, 3.077, and 6.154 A.

Structural data. The structure of cesium

bromoosmate has not been reported. However,

because of the similarity of patterns, it is thought

to be isostructural with ammonium bromoosmate

having the space group Oh—Fm3m (No. 225) with

4(Cs20sBr6) per unit cell.

Lattice constant

1 a

A

1962 National Bureau of Standards. 10.659 at 25 °C.

The density of cesium bromoosmate calculated

from the NBS lattice constant is 5.130 g/cm^ at

25 °C.

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal Standard,

hkl tungsten, a = 3. 1648 A

w

T

1 a

A .A 111 7Q lu. ooy

200 t in /? CO iU. DOO

220 3 770 Do iU. DDO

311 3. 214 9f; iU. ODU

222 3. 077 91 10. 659

400 1 no lU. DOU

331 K

lU. 420 A. lU. DDO

422 91 iU. DDo

511 2. 0517 18 10. 661

440 1 RS4.4. DX lU. DDU

531 1 801

7

i. OU J- 1 ID IU. Doy

600 1 77f;9 oq lU. DO/

620 JL. \JOtjX Q£7 IU. DOo

533 1. 6252 5 10. 657

622 1. 6067 X o 1 n ft IU- DOo

444 1 ^382 1 ft in ft IU. DO/

711 1. 4923 oo inIU. ftDO/p;7 640 1 47 SO o in ft p^ft IU. DOo

642 1. 4242 8 10. 658

731 1. 3875 4 10 fiP>S X\J. DOO

800 1. 3321 t; X\J. DO/

822 1. 2560 Qo iU. DOo

751 1 2307 Qo 1 0 ftliR ID. DOo

622 l', 2225 5 10. 658

840 1 1 920 1X 9^ 1IU.n fifi9 DDii 911 1. 1700 Q' > xu. Duy

664 1X. 1X 3fil 0(J X

•3o inXU. DOo

931 1X. 1X 1X 79J ^ A in fifi7 IU. DO/

844 1. 0879 7 10. 659

933 1 071

4

X. \J i X t

Qo 1xyj. 0 fifiO UDU

10-2-0 1X. 04'i1 XJ^OX lU. DOo

951 1X. 0^0^ \JO\JO KO iU. DOo

10-2-2 1 09';7 O lu. Doy

953 0. 9939 3 10. 658

10.4-2 Q7^0 1

JL in f\^Q IU. Doy

880 Q499 9 1IU.n fifiO DDU

11-3.1 0*^1 9 9 IU. DOo

10-60 01 O in ft PiR IU. DOo

11.3-3 . 9041 2 10. 659

10-6-2 . 9009 3 10. 660

12-0-0 . 8884 5 10. 661

11-5-1 . 8792 1 10. 660

12-2-2 . 8645 1 10. 658

11-5-3 . 8562 1 10. 660

12-4-0 . 8428 4 10. 661

991 . 8349 2 10. 759

10-8-2 . 8223 2 10. 658

13-1-1 . 8151 3 10. 659

12-4-4 . 8035 3 10. 660

13-3-1 . 7967 2 10. 659

Average value of last five lines..

|

10. 659

10
Cesium Chloroosmate (IV), CS2OSCI6 (cubic)

-

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium chloroosmate was prepared at NBS by R. Johannesen

from solutions of cesium chloride and chloroosmic

acid. Spectrographic analysis showed the following major impurities: 0.01 to 1.0 percent sodium

and 0.001 to 0.01 percent each of aluminum and

silicon.

The color of the sample was deep orange. The

refractive index could not be determined because

the sample was too fine-grained.

The (Z-values of the three strongest lines are: 3.616, 5.905, and 2.557 A.

Structural data. The structure of cesium

chloroosmate has not been reported. However,

because of the similarity of patterns, it is thought

to be isostructural with ammonium chloroosmate

having the space group —Fm3m (No. 225)

with 4(Cs20sCl6) per unit cell.

Lattice constant

a

A

1962 National Bureau of Standards. 10.230 at 25 °C.

The density of cesium chloroosmate calculated

from the NBS lattice constant is 4.148 g/cm^ at

25 °C.

hkl

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

d / a

A A

111 5. 905 68 10. 228

220 3. 616 100 10. 228

311 3. 085 27 10. 232

222 2. 953 27 lo! 228

400 2. 557 55 10. 228

331 2. 347 9 10. 230

422 2. 089 37 10. 230

511 1. 969 14 10. 231

440 L 8090 32 \Q. 233

531 1. 7293 12 10. 231

620 1. 6174 14 10. 229

533 1. 5603 3 10. 232

622 1. 5426 3 10. 232

444 l! 4763 8 lO' 228

711 1. 4324 7 10. 229

642 1. 3668 13 10. 228

731 1. 3320 3 10. 231

800 1. 2790 3 10. 232

822 l! 2057 5 lo! 231

751 1. 1814 2 10. 231

662 1. 1735 2 10. 230

840 1. 1437 4 10. 230

911 1. 1229 2 10. 230

664 l! 0905 3 lo! 230

931 1. 0723 2 10. 229

844 1. 0442 3 10. 231

933 1. 0283 1 10. 231

10-2-0 1. 0032 4 10. 231

951 0. 9890 3 10. 230

10-2-2 . 9843 1 10. 229

953 . 9539 1 10. 229

10-4-2 . 9340 3 10. 231

lM-1 . 9225 <1 10. 231

880 . 9042 3 10. 230

11-31 . 8939 2 10. 231

10-6-0 . 8773 3 10. 231

11-3-3 . 8678 3 10. 231

120-0 . 8525 3 10. 230

12-2-2 . 8298 3 10. 230

11-5-3 . 8218 2 10. 231

12-4-0 . 8088 2 10. 231

991 . 8013 2 10. 230

10-8-2 . 7893 2 10. 230

13-1-1 . 7823 1 10. 230

Average value of last five lines. _ 10. 230

11
Chromium Orthophosphate, alpha, CrP04 (orthorhombic)

Powder Data cards

Card

number

Index

lines Radiation

Source

*5-0233 5. 40

2. 74

5. 20

Copper National Bureau

of Standards [1] 1951, [2] 1952.

This ASTM card was reported without indices.

Additional published patterns. None.

NBS sample. The sample of alpha-chromium

orthophosphate was prepared at NBS by grinding

the hexahydrate and heating it to 1,500 °C. The

ground hexahydrate actually inverts to the alpha

form at 972 °C whde the unground hexahydrate

changes to beta and then to alpha-orthophosphate.

Spectrographic analysis showed no impurities

greater than 0.001 percent.

The color of the sample was deep blue. The

refractive indices are Na= 1.761 and Nt,= 1.844.

2V is very large. The a form is strongly pleochroic.

The c?-values of the three strongest lines are: 5.390, 2.741, and 5.203 A.

Structural data. Villadsen [3] in 1960 determined that alpha-chromium orthophosphate has

an orthorhombic body-centered lattice having the

lattice symbol I . . . . Therefore, the possible

orthorhombic space gTOups are Df—1222 (No. 23),

D|—I2i2i2i (No. 24), CIS—Imm2 (No. 44), and

Dll—Immm (No. 71). According to Villadsen,

there are either 8 (CrPO^) per unit cell or 16(CrP04)

per unit cell.

Lattice constants

a b c

A A A

1960 ViUadsen [3]... 10. 41 12. 90 6.297

1962 National 10. 405 12. 898 6.297 at Bureau of 25 °C

Standards.

The density of alpha-chromium orthophosphate

calculated from the NBS lattice constants using

Z= 16 is 4.620 g/cm^ at 25 °C. The density based

on Z=8 appeared to be rather low for this compound.

1962 National Bureau

of Standards

Cu, 1.5405 Aat25°C

hkl Internal standard,

tungsten, a==3.1648 A

d I

A

6. 444 17

oil 5. 661 45

101 5. 390 100

200 0. Z\J6 48

121 4. 139 4

211 3. 834 3

031 3. 548 7

002 3. 149 9

301 6. Uc>9 11

022 2. 826 2

141 2. 766 13

240 2. 741 51

202 2. 693 40

400 Z. 604 26

222 2. 479 7

251 2. 169 18

Old 2. 071 5 440 2. 025 13

213 1. 927 5 303 1. 795 3

451 1. 7590 8

323 1. 7296 3

442 1. 7025 13

547 1. 6851 3

370 1. 6276 4

080 1. 6124 5 004 1. 5754 6

253 1. 5537 3

433 1. 5269 8

602 1. 5188 6

204 1. 5071 3 372 1. 4457 2 651 1. 4031 4 453 1. 3801 8

244 1. 3649 3

291 1. 3493 3

References

[1] Joint Committee Fellowship Report, National Bureau

of Standards, Oct., 1951.

[2] B. M. Sullivan and H. F. McMurdie, Crystal forms

of chromium orthophosphate, J. Research N.B.S.

48, No. 2, 159-162 (1952) RP2300.

[3] J Villadsen, Haider Topsoe Res. Lab., Hellerup, Denmark (private communication).

12
Cobalt Mercury Thiocyanate, Co[Hg(CNS)4] (tetragonal)

Powder Data cards. None.

NBS sample. The sample of cobalt mercury

thiocyanate was prepared at NBS by E,. S. Johannesen from solutions of cobaltous nitrate and

ammonium mercury thiocyanate. Spectrographic

analysis showed the following major impurities:

0.001 to 0.01 percent each of nickel and silicon.

The color of the sample was a brilliant blue and

it is optically positive. The indices of refraction are No= 1.875 and Ne= 1.905.

The -values of the three strongest lines are: 5.552, 3.284, and 7.85 A.

Structural data. Straumanis and Stahl [1] in 1944 determined that cobalt mercury thiocyanate has the space group S4— 14 (No. 82) and

2{Co[Hg(CNS)4]} per unit cell. Unit cell measurements reported by Straumanis

and Stahl have been converted from kX to

angstrom units for comparison with the NBS

values.

Lattice constants

a c

A A

1944 Straumanis and 11. 1092 4. 3740

Stahl [1]. 1947 Jeffrey [2] 11. 09 4. 37

1962 National Bureau of 11. 105 4. 3819 at Standards. 25 °C

Straumanis and Stahl [1] reported that the

thermal expansion coefficients for cobalt mercury

thiocyanate were: a JLc= — 10.85X10"^. a\\c—

149.3X10-«.

The density of cobalt mercury thiocyanate

calculated from the NBS lattice constants is 3.022 g/cm^ at 25 °C.

References

[1] I. M. Straumanis and W. Stahl, Die gegenseitige L6-

slichkeit im ternaren System Cadmium-, Kobalt-,

Zinkquecksilberrhodanid, Z. phvsik, Chem. 193, 97-

111 (1944)

[2] J. W. Jeffrey, Crystal structure of Co[Hg(CNS)4],

Nature 159, 610 (1947).

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3.1648 A

d /

A 110 7. 85 100

200 5. 552 100

101 4. 075 44

220 3. 992 41

310 3. 513 18

211 3. 284 70

301 2. 828 44

400 2. 776 6

330 2. 617 19

321 2. 520 39

420 2. 484 32

411 2. 295 25

510 2. 177 5

501 1. 980 19

440 1. 962 11

530 1. 903 7

521 1. 865 23

600 1. 850 14

620 1. 755 10

402 1. 721 4

611 1. 683 11 541 1. 6122 5

710 1. 5700 5

631 1. 5482 12

512 1. 5442 1

1

640 1. 5396 5 701 1. 4916 2 721 1. 4403 7

800 1. 3880 2

651 1. 3523 4

820 1. 3466 3

811 1. 3143 5 660 1. 3090 3

831 1. 2464 2 840 1. 2414 2

910 1. 2267 2

921 1. 1616 3

851 1. 1369 1 lO-OO 1. 1104 2 941 1. 0921 2

10-20 1. 0890 2

950 1. 0784 2

lO-M 1. 0719 3

10-4-0 1. 0315 2

663956—63 3
Cobalt Sulfate, beta, C0SO4 (orthorhombic)

Powder Data Cards

Card

number

Index

lines Radiation Source

3-0843 2. 58

3. 60

4. 30

Molybdenum

The Dow Chemical

Company.

Additional published patterns. Hammel [1] 1938, Rentzeperis [2] 1958, and Pistorius [3] 1961.

The reference for the comprehensive work reported

by Pistorius was not available at the time this

work was started. The rf-values reported by Pistorius agree favorably with the NBS data.

NBS sample. The sample of cobalt sulfate was

made from cobalt chloride and sulfuric acid. The

precipitated sulfate was heated to 160 °C to drive

off excess sulfuric acid. A second pattern was

prepared after the sample was reheated to 400 °C

with no observable change in spacing. Spectrographic analysis showed the following impurities:

0.1 to 1.0 percent each of nickel and silicon; and

0.01 to 0.1 percent each of aluminum, calcium,

iron,, and sodium.

The color of the sample was reddish-purple.

The indices of refraction could not be determined

because the sample was too fine-grained.

The (i-values of the three strongest lines are: 2.605, 3.610, and 3.368 A.

Structural data. Rentzeperis [2] in 1958 determined that beta cobalt sulfate has the magnesium

sulfate structure, the space group DH—Amam

(No. 63) and 4(CoS04) per unit cell. Hammel

[1] and Hocart and Serres [4] both had previously

reported lattice constants for what was later

found to be the high-temperature a-CoS04

reported by Rentzeperis [2] to exist after heating

above 700 °C.

Lattice constants

a b c

A A A

1958 Rentzeperis [2]__ 6. 531 7. 876 5. 200

1961 Pistorius [3]_ 6. 516 7. 864 5. 191 at 25 °C

1962 National Bureau 6. 522 7. 871 5. 198 at

of Standards. 25 °C

The density of beta-cobalt suKate calculated

from the NBS lattice constants is 3.857 g/cm^ at

25 °C.

hkl

1962 National Bureau

of Standards

Co, 1.7889 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

a

r

1

A

Oil 4. 336 28

020 3. 936 21

111 3. 610 67

120 3. 368 45

211 2. 605 100

031 2. 342 38

202 2. 032 19

040 1. 967 12

320, 231 1. 902 10

222 1. 805 21

240 1. 684 13

113 1. 6379 18

400 1. 6305 12

331 1. 5938 7 411 1. 5261 10

420, 051 1. 5066 12

213 1. 5023 5 033 1. 4460 10

242 1. 4140 22

251 1. 3680 10

431 1. 3383 10

References

[1] r. Hammel, Contribution a I'^tude des sulfates de la

serie magnesienne, Ann. chim. (Paris) 11, 24-358

(1938).

[2] P. J. Rentzeperis, Die Kristallstruktur der beiden

Modifikationen von wasserfreiem CoSOj, Neues.

Jahrb. Mineral. Monatsh. 210-215 (1958).

[3] C. W. F. T. Pistorius, Lattice constants and space

groups of the low and high temperature polymorphic

forms of anhydrous cobaltous sulfate. Acta Crj'st.

14, 543-544 (1961).

[4] R. Hocart and A. Serres, Magnetic properties and

crystalline structure in the different varieties of

anhydrous cobalt sulfate, Compt. rend. 193, 1180-

1182 (1931).

14
Dysprosium Gallium Oxide 3:5, Dy3Ga2(Ga04)3 (cubic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample was prepared at NBS

by S. Schneider from stoichiometric mixtures of

dysprosium oxide and galhum oxide. The mixtiu"e

was pressed into pellets and heated at 1,350 °C for

6 hr; then ground, remixed, and again pressed into

pellets and heated at 1,450 °C for 6 hr. Spectrographic analysis showed the following impurities:

0.01 to 0.1 percent holmium; 0.001 to 0.01 percent

each of erbium, thulium, and yttrium; and 0.0001

to 0.001 percent each of copper and silicon.

The color of the sample was white. The index

of refraction could not be determined because the

sample was too fine-grained.

The c?-values of the three strongest lines are

2.752, 2.512, and 1.645 A.

Structural data. S. Schneider and R. Roth [1] showed that dysprosium gallium oxide 3:5 has the

garnet structure, having the space group Ol°— Ia3d

(No. 230), and 8[Dy3Ga2(Ga04)3] per unit cell.

Lattice constants

A

1956 Bertaut and Forrat [2]__ 12.32

1962 National Bureau of Standards. 12.307 at 25 °C

The density of dysprosium gallium oxide 3:5

calculated from the NBS lattice constant is 7.325

g/cm^ at 25 °C.

References

fl] S. Schneider and R. Roth, Solid state reactions involving oxides of trivalent cations (to be published in

J. Research NBS).

[2] F. Bertaut and F. Forrat, Etude des combinaisons des

oxides des terres rares avec I'alumine et la galline,

Compt. rend. 243, 1219-1222 (1956).

hkl

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

silver, a = 4.0S61 A

d I a

A A

211 5. 023 14 12. 304

220 4. 350 6 12. 304

321 3. 290 10 12. 310

400 3. 076 30 12. 304

420 2. 752 100 12. 307

422 2. 512 44 12. 306

431 2. 413 5 12. 304

521 2. 247 10 12. 307

440 2. 176 2 12. 309

611 1. 997 9 12. 310

444 1. 777 14 12. 311

640 1. 707 32 12. 309

721 1. 675 6 12. 308

642 1. 645 36 12. 308

732 1. 564 4 12. 311

800 <J\J\J 1. 5382 14 12. 306

822 1. 4503 5 12. 306

840 1. 3760 9 12. 307

842 1. 3430 20 12. 310

921 1. 3271 1 12. 307

664 1. 3120 7 12. 308

932 1. 2695 3 12. 308

1. 2068 4 12. 307

10-31 1. 1737 2 12. 310

10-40 1. 1426 17 12. 306

10-3-3 1 1 "^^0 1. iOOU

10-4-2 1. 1235 9 12. 307

11 21 1. 0967 3 12. 310

880 1. 0880 7 12. 309

1200 1. 0256 6 12. 307

12-2-0 1. 0117 5 12. 308

12-2-2 0. 9983 9 12. 308

12-4-4 . 9278 3 12. 309

13-3-0 . 9228 2 12. 312

12-6-0 . 9173 11 12. 307

12-6-2 . 9073 5 12. 307

888 . 8881 4 12. 306

14-31 . 8576 3 12. 309

12-80 . 8534 2 12. 308

14-4-0 . 8452 10 12. 306

14-4-2 . 8373 9 12. 307

15
Erbium Manganite, ErMnOs (hexagonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of erbium manganite

was prepared at NBS by S. Schneider from

stoichiometric mixtures of erbium oxide and

manganous carbonate. The mixture was pressed

into pellets and, heated at 1,000 °C for 41 hr; then

ground, remixed, again pressed into pellets and

heated at 1,150 °C for 21 hr. Spectrographic

analysis showed the following impurities: 0.01 to

0.1 percent each of aluminum and magnesium; and

0.001 to 0.01 percent each of calcium, chromium,

copper, iron, and sUicon.

The sample was a black opaque powder. The

(^-values of the three strongest lines are: 2.695,

3.059, and 1.7659 A.

Structural data. Yakel, Koehler, Bertaut, and

Forrat [1] in 1960 determined that erbium

manganite has the space gToup C|v— P63cm (No.

185), and 6(ErMn03) per unit cell. Erbium

manganite is isostructural with lutetium manganite.

Lattice constants

a c

A A

1960 Yakel, Koehler, Ber- 6. 1150 11.411

taut, andForrat[l].

1962 National Bureau of 6. 1166 11.435 at Standards. 25 °C.

The density of erbium manganite calculated

from the NBS lattice constants is 7.264 g/cm^ at

25 °C.

Reference

[1] H. L. Yakel, W. C. Koehler, E. F. Bertaut, and E. F. Forrat, Erbium Manganite—a new ABO3 structure,

Acta Cryst. 13, 1015 (1960).

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard,

tungsten, a == 3.1648 A

d I

A

002 5. 717 30

102 3. 885 9

110 3. 059 50

111 2. 955 33

004 2. 858 35

112 690 100

104 2. 516 7 202 2. 403 6

113 2. 385 3

114 2. 088 38

204 1. 944 6

212 1. 8900 4

115 1. 8312 6

106 1. 7931 10

300 1. 7659 40

302 1. D574 9

214 1. 6396 5 116 1. 6170 19

206 1. 5470 5 220 1. 5290 7

221 1. OlOD A4

304 1. 5023 25

222 1. 4769 16

117 1. 4409 3

008 1. 4298 2

108 1. ooUl 9

224 1. 3481 7 314 1. 3067 2 225 1. 2714 2 208 1. 2576 2

226 1. lyZD r0

218,316 1. 1636 5 410 1. 1558 4

411 1. 1506 1 412 1. 1330 9

324 1. 11»4 5 I-O-IO 1. 1178 4 308 1. 1109 3

406 1. 0876 <1

414 1. 0715 8

2-0-10 1. 0499 1 228 1. 0444 <1

415 1. 0315 1 318, 326 1. 0245 5 330 1. 0193 4

332 1. 0037 2 2-1-10 0. 9930 3 416 . 9883 4

408 . 9715 1

. 9602 3

417 . 9433 <1

335 . 9314 2 3M0 . 9023 2

16
Europium Gallium Oxide 3:5, Eu3Ga2(Ga04)3 (cubic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample was prepared at

NBS by S. Schneider from stoichiometric mixtm-es of em:opium oxide and gallium oxide. The

mixture was pressed into pellets and heated at

1,350 °C for 6 hr; then ground, remixed, again

pressed into pellets and heated at 1,450 °C for

6 hr. Spectrographic analysis showed the following impiu-ities: 0.001 to 0.01 percent silicon; and

0.0001 to 0.001 percent each of barimn, calcium,

and erbium.

The color of the sample was white. The index

of refraction was above 2.0 as determined by the

available refractive index liquids.

The c?-values of the three strongest lines are: 2.773, 2.531, and 1.6573 A.

Structural data. Schneider, Roth, and Waring

[1] in 1961 showed that europium gallium oxide

3:5 has the garnet structmre, having the space

group O^o-IaSd (No. 230),, and 8[Eu3Ga2(Ga04)3]

per unit cell.

Lattice constant

A

1962 National Bureau of Standards- 12.401 at 25 °C

The density of em"opium gallium oxide 3:5

calculated from the NBS lattice constant is 6.940 g/cm^ at 25 °C.

Reference

[1] S. J. Schneider, R. S. Roth, and J. L. Waring, Solid

state reactions involving oxides of trivalent cations,

J. Research NBS 65A (Phys. and Chem.) No. 4, 345-374 (1961).

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal Standard,

hkl tungsten, a = 3. 1648 A

d / a

A A

211 5. 063 14 12. 402

220 4. 384 5 12. 400

321 3. 314 8 12. 400

400 3. 099 32 12. 396

4.90 2. 773 100 12. 401

422 2. 531 45 12. 399

431 2. 432 3 12. 401

521 2- 264 10 12. 400

440 2. 192 4 12. 400

611 2. 012 11 12. 403

631 1. 829 1 12. 405

444 1. 790 14 12. 402

640 1. 7196 30 12. 400

721 1. 6874 4 12. 400

1. 6573 35 12. 402

732 1. 5749 5 12. 401

800 1. 5504 13 12. 403

840 1. 3866 9 12. 402

842 1. 3534 17 12. 404

921 1. 3374 3 12. 403

664 1. 3224 7 12. 405

932 1. 2796 2 12. 406

941 1. 2531 1 12. 405

10-2-0 1. 2162 1 12. 405

1. 1827 2 12. 404

10.4.0 1. 1517 17 12. 404

10.4.2 1. 1323 8 12. 403

11.2.1 1. 1049 3 12. 403

880 1. 0962 6 12. 402

11.3.2 1. 0713 2 12. 401

12.0-0 1. 0336 3 12. 403

12-2-0 1. 0196 5 12. 404

11.5-2 1. 0128 3 12. 404

12-2-2 1. 0060 7 12. 403

1 1 -6-1 0. 9867 3 12. 403

11-6-3 . 9627 <1 12. 403

12-4-4 - 9349 5 12. 403

12-6-0 . 9244 10 12. 402

13-3-2 - 9194 <1 12. 403

12-6-2 . 9142 5 12. 401

888 . 8951 5 12. 403

14-3-1 . 8640 3 12. 401

12-8-0 . 8599 5 12. 402

14-4-0 . 8517 8 12. 401

14-4-2 . 8438 16 12. 401

14-5-1 . 8323 1 12. 401

Average value of last five lines- 12. 401

17
Gadolinium Gallium Oxide 3:5, Gd3Ga2(Ga04)3 (cubic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample was prepared at

NBS by S. Schneider from stoichiometric mixtures of gadolinium oxide and gallium oxide.

The mixt\ire was pressed into pellets and heated

at 1,350 °C for 6 hrs; then ground, remixed, and

again pressed into pellets and heated at 1,450 °C

for 6 hrs. Spectrographic analysis showed the following impiirities: 0.01 to 0.1 percent each of

europium and terbium; and 0.001 to 0.01 percent

of silicon.

The color of the sample was white. The index

of refraction is greater than 2.00.

The (Z-values of the three strongest lines are: 2.768, 2.526, and 1.6540 A.

Structural data. S. Schneider and R. Roth [1] showed that gadolinium gallium oxide 3:5 has

the garnet structure, having the space group

O'^-taSd (No. 230), and 8[Gd3Ga2(Ga04)3] per

unit cell.

Lattice constants

A

1956 Bertaut and Forrat [2] 12.39

1962 National Bureau of Standards _ 12.376 at 25 °C

The density of gadolinium gallium oxide 3:5

calculated from the NBS lattice constant is 7.093

g/cm^ at 25 °C.

References

[1] S. Schneider and R. Roth, Solid state reactions in- volving oxides of trivalent cations (to be published

in J. Research NBS).

[2] F. Bertaut and F. Forrat, Etude des combinaisions des

o.xides des terres rares avec I'alumine et la galline,

Compt. rend. 243, 1219-1222 (1956).

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal Standard,

I. 7 7 kki tungsten, a =3. 1648 A

a 1 a

A A

211 0. Uoz J 0 IZ. 6lo

220 4. o/o oO

"1 O 0'7 A \Z. 374

321 6. 60/ 1 n10 1 O Ol A IZ. 074

400 o. UH4 oo IZ. 376

420 2. 768 100 12. 379

422 z. ozo iZ LZ. 610

431 o /loo

Z. iZo r0 IZ. osU

521 Z. Zoy ZL IZ. 616

440 Z. loo D IZ. 6il

611 2. 0077 10 12. 376

444 1. /oDO 1 A 14 IZ. oil

640 1 Ti An 1. / iOU OZ iZ. 6/4: 721 1 AO /I o I. D»4Z 1 1 O OTA IZ. O/D

642 1. D04U QAOb IZ. 6(1

732 1. 5720 3 12. 378

800 1. 04D0 io 1 O QT/l 0/4: 840 1. OOOl 1 f\ 1 O QT'fi iz. o/o

842 I. ooUo Z\J 921 1. 0045 QO 664 1. 3193 6 12. 376

10-20 1. ZlOO CO 10-31 1. loUU 0 IZ. O/D

10-40 1 e; 1

0

1 Z. O / U 10-3-3 1. 1392 2 12. 375

10-4-2 1. 1297 10 12. 375

11-2-1 1. 1025 5 12. 376

880 1. 0938 6 12. 375

12-0-0 1. 0315 7 12. 378

12-2-0 1. 0173 8 12. 376

12-2-2 1. 0038 10 12. 376

11-6-3 0. 9603 3 12. 373

12-4-4 . 9328 5 12. 375

12-6-0 . 9224 9 12. 375

12-6-2 . 9123 6 12. 375

888 . 8931 7 12. 375

14-3-1 . 8623 3 12. 376

12-8-0 . 8581 3 12. 376

14-4-0 . 8500 8 12. 376

14-4-2 . 8422 8 12. 378

Average value of last five lines 12. 376
Lithium Arsenate, Li3As04 (orthorhombic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of lithium arsenate

was prepared at NBS by reaction of solutions of

lithium carbonate and arsenic (V) acid. The

precipitate was washed and then heated to 1,000 °C

for 10 min. Spectrographic analysis showed the

following impurities: 0.1 to 1.0 percent each of

antimony and lead; 0.01 to 0.1 percent each of

aluminum, bismuth, calcium, magnesium, and

silicon.

The sample was colorless. The refractive

indices were not determined because the particle

size of the sample was too small.

The (^-values of the three strongest lines are: 3.89, 4.09, and 3.643 A.

Structural data. Zemann [1] in 1960 determined that lithium arsenate is probably isotypic

with lithium phosphate, with the olivine structure, the space group D^J; —Pnmb (No. 62), and

4(LiiAs04) per unit cell.

Lattice constant

a b c

A A A

1962 National 6. 279 10. 768 4.955 at Bureau of 25 °C

Standards.

The density of lithium arsenate calculated from

the NBS lattice constants is 3.166 g/cm^ at 25 °C.

Reference

[1] J. Zemann, Die Kristallstruktur von Lithiumphosphat,

Li3P04, Acta Cryst. 13, 863-867 (1960).

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard.

tungsten, a == 3.1648 A

d I

A

020 5. 39 36

120 4. 09 99

101 3. 89 100

021 3. 643 69

121 3. 151 45

200 3. 141 46

220 2. 712 52

040 2. 692 31

140, 002 2. 476 48

221 2. 377 227

041 2. 366 16

022 2. 249 4

141 2. 213 11 122 2. 118 19

240 2. 043 2

320 1. 950 12

202 1. 945 12

301 1. 927 9

241 1. 889 16

222 1. 828 15

042 1. 824 13

321 1. 8151 10

060 1. 7944 5

142 1. 7502 7 160 1. 7256 2

061 1. 6871 <1

340 1. 6521 7 161 1. 6294 12

103 1. 5975 7 023 1. 5788 6

949 1. 5761 7 400 1. 5695 14

260 1. 5582 22

322 1. 5322 7 420 1. .5071 2

1. 4539 3

421 1. 4419 6

223 1. 4104 16

342 1. 3746 6

440 1. 3561 3

080 1. 3462 <1

402 1. 3261 6

262 1. 3190 12

180, 412 1. 3158 12

361 1. 3139 10

081 1. 2986 3 303 1. 2968 3

19
Lithium Trimetaphosphate Trihydrate, LisPsOs^SHaO (trigonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of lithium trimetaphosphate trihydrate was prepared at NBS by

E. D. Eanes by adding an excess amount of

AgNOg to a solution of NaaPgOg-llHzO. A

slurry of the silver salt was metathesized with

LiCl. After filtering to remove AgCl, the product

was precipitated from solution with ethanol.

Spectrographic analysis showed the following impurities: 0.01 to 0.1 percent each of calcium,

barium, and sodium; and 0.001 to 0.01 percent

each of aluminum, lead, magnesium, and silicon.

The sample is colorless and optically positive.

The indices of refraction are No= 1.468, and

Ne=1.472.

The (^-values of the three strongest lines are: 4.965, 3.128, and 6.24 A.

Structural data. The structure of lithium tri- metaphosphate trihydrate was determined by E.

D. Eanes [1] in 1961 at NBS. The space group

is Cs'v—R3m (No. 160) and SCLisPgOg-SHaO) per

hexagonal unit cell or 1 (Li3P309-3H20) per

rhombohedral unit cell.

Lattice constant

a c

A A

1962 National Bureau of 12. 513 5. 5900

Standards. at 25 °C

The density of lithium trimetaphosphate trihydrate calculated from the NBS lattice constants

is 2.048 g/cm^ at 25 °C.

Reference

[1] E. D. Eanes and H. Ondik, The structure of lithium

dipotassium trimetaphosphate monohydrate, Acta

Cryst. 15, 1280-1285 (1962).

hkl

(hex)

lyo/ iNationai Joureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a =3.1648 A

d /

A

110 6. 24 51

iUi 4. 965 100

not 3. 889 37

Qnn oUU 3. 610 13

^O. ^(19 OVJ^

220 3. 128 66

2. 706 23

1 Qi 2. 647 29

OAO 2. 483 3

A ni 4Ui Qo

410 2. 365 11

1 OO 2. 309 7

2. 272 9

ooU 2. 085 10

Q 1 O 9 04.7 9

051 2. 021 2

1. 947 <1

0/1 1 1. 924 7

nnQ OQO 1. 858 8

oil 1. ooo o

600 1. 805 2

1 lo 1. 786 6

f^on 1. 736 5

r;no 1. 712 1 401 1X. fiQ8 oyo 9

303 1. 657 1

1. 652 4

OOQ 1. 601 3

1 C^O 1. 598 3 IDI J.. OoO O

440 1. 564 1 Q /I O 1. 502 2

Tfll 1. 491 3

4Io 1. 4635 5 AO 1 1. 4513 3

710 1. 4355 4

A1 O 1. 4227 2 333 1. 3895 2

104 1. 3857 3

630 1. 3652 2

072 1. 3544 2

541 1. 3469 2

Lithium Tungstate Hemihydrate, Li2W04 KH20 (cubic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of lithium tungstate

hemihydrate was obtained from the City Chemical

Company, New York, N.Y. Upon fusion this

substance loses 3.18 percent water and converts

to the anhydrous trigonal form. Spectrographic

analysis showed the following impurities: 0.001

to 0.01 percent each of aluminum, copper, iron,

lead, molybdenum, and silicon.

The sample was colorless. The refractive

index was not determined because the particle

size was too small.

The (^-values of the three strongest lines are: 4.81, 2.774, and 3.398 A.

20
Lithium Tungstate Hemihydrate, Li2W04 • y2H20 (cubic) —Continued

Structural data. No reference was found for

the structure of this compound. The lattice is apparently primitive cubic and the unit cell probably contains 6(Li2W04-}^H20).

Lattice constant

a

A

1962 National Bureau of Standards, 8.3203 at 25 °C

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

hkl tungsten, a =3.1648 A

d a

A A

100 8. 32 47 8. 32

110 5. 89 8 8. 33

111 4. 81 100 8. 33

200 4. 16 15 8. 32

210 O. 1

211 3. 398 81 8. 323

220 2. 942 30 8. 321

300 2. 774 82 8. 322

310 2. 631 38 8. 320

311 2. 509 9 8. 321

222 2. 402 13 8. 321

321 2. 224 11 8. 321

400 2. 080 11 8. 320

410 2. 018 33 8. 320

411 1. 9612 16 8. 3207

331 1. 9091 37 8. 3216

420 1. 8606 21 8. 3209

421 1. 8155 6 8. 3197

332 1. 7739 4 8. 3209

422 1. 6984 12 8. 3204

500 1. 6642 10 8. 3210

510 1. 6316 5 8. 3196

511 1. 6014 10 8. 3211

520 1. 5449 7 8. 3195

521 1. 5190 20 8. 3199

440 1. 4708 24 8. 3201

522 1. 4485 14 8. 3210

530 1. 4269 10 8. 3202

531 1. 4065 13 8. 3210

600 1. 3868 7 8. 3208

611 1. 3498 8 8. 3207

620 1. 3157 3 8. 3212

621 1. 2994 13 8. 3202

541 1. 2837 , 2 8. 3193

533 1. 2689 2 8. 3207

663956—63 4

The density of lithium tungstate hemih;ydrate

calculated from the NBS lattice constant is 4.682

g/cm^ at 25 °C. The average pycnometric

density was approximately 4.3 g/cm^ at 25 °C.

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C.

Internal standard,

tungsten, a = 3. 1648 A

d I a

A

A A

622 1. 2544 5 8. 3207

630 1. 2403 7 8. 3202

631 1. 2268 5 8. 3206

444 1. 2010 <1 8. 3208

700 1. 1887 2 8. 3209

710 1. 1766 3 8. 3198

711 1. 1651 9 8. 3205

720 1. 1428 4 8. 3197

721 1. 1323 7 8. 3207

642 1. 1118 6 8. 3199

722 1. 1022 2 8. 3214

730 1. 0924 5 8. 3195

731 1. 0832 2 8. 3202

650 1. 0653 2 8. 3203

732 1. 0567 4 8. 3205

800 1. 0401 3 8. 3208

810 1. 0320 10 8. 3203

811 1. 0242 6 8. 3206

733 1. 0166 7 8. 3212

820 1. 0090 6 8. 3204

821 1. 0017 3 8. 3207

653 0. 9946 2 8. 3214

822 . 9805 6 8. 3198

830 . 9738 2 8. 3202

831 . 9673 4 8. 3210

751 . 9608 3 8. 3208

662 . 9545 2 8. 3211

832 . 9481 2 8. 3195

900 . 9245 4 8. 3205

911 . 9133 6 8. 3206

842 . 9078 4 8. 3201

920 . 9024 1 8. 3197

921 . 8973 6 8. 3212

664 . 8869 1 8. 3199

922 . 8820 4 8. 3208

930 . 8771 2 8. 3209

931 . 8722 3 8. 3203

852 . 8628 3 8. 3205

932 . 8582 5 8. 3206

844 . 8492 6 8. 3204

940 . 8448 3 8. 3203

941 . 8405 2 8. 3205

933 . 8362 6 8. 3201

lO-O-O . 8320 2 8. 3200

lO-l-O . 8279 7 8. 3203

10-M . 8239

j 1 8. 3206

Average value of last five lines 8. 3203
Lutetium Gallium Oxide 3:5, Lu3Ga2(Ga04)3 (cubic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample was prepared at

NBS by S. Schneider from stoichiometric mixtures

of gaUimn oxide and lutetium oxide. The mixture

was pressed into pellets and heated at 1,350 °C

for 6 hr; then ground, remixed, and again pressed

into pellets and heated at 1,450 °C for 6 hr.

Spectrographic analysis showed the following

impurities: 0.001 to 0.01 percent each of erbium

and silicon; and 0.0001 to 0.001 percent each of

dysprosium, yttrium, and ytterbium.

The color of the sample was white. The index

of refraction could not be determined because

the sample was too fuie-grained.

The (Z-values of the three strongest lines are: 2.724, 2.487, and 1.628 A.

Structural data. S. Schneider and R. Eoth

[1] showed that lutetium gallium oxide has the

garnet structure, having the space group 0^1—Ia3d

(No. 230), and 8[La3Ga2(Ga04)3] per unit cell.

Lattice constant

A

1962 National Bureau of Stand- 12.183 at

ards. 26 °C

The density of lutetium gallium oxide 3:5

calculated from the NBS lattice constant is 7.826

g/cm^ at 26 °C.

Reference

[1] S. Schneider and R. Roth, Sohd state reactions

involving oxides of trivalent cations (to be published

in J. Research NBS).

hkl

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3.1648 A

a I a

A A

211 4. 973 19 12. 181

220 4. 308 6 12. 185

321 3. 256 12 12. 183

400 3. 046 31 12. 184

420 2. 724 100 12. 1»2

422 2. 487 44 12. 184

510 2. 389 3 12. 182

521 2. 224 13 12. 181

440 2. 154 3 12. 185

611 1. 976 12 12. 181

631 1. 796 2 12. 181

444 1. 758 17 12. 180

640 1. 689 32 12. 180

721 1. 658 6 12. 184

642 1. 628 34 TO "I O 1 12. Ibl

732 1. 547 3 12. 181

800 1. 523 14 12. 184

653 1. 456 2 12. 182

822 1. 436 2 12. 185

752 1. 3797 1 TO IOC 12. ISO

840 1. 3620 8 12. 182

842 1. 3291 21 12. 181

921 1. 3138 2 12. 184

664 1. 2986 7 12. 182

932 1. 2566 2

1 O 1 oo 12. lo6

lO-l-l 1. 2063 1 12. 183

10-2-0 1. 1947 2 12. 184

10-3-1 1. 1617 3 12. 184

10-4-0 1. 1311 20 12. 182

10-3-3 1. 1215 2

'

1 O 1 O '3 iZ. loo

10-4-2 1. 1120 7 12. 181

11-2-1 1. 0853 3 12. 182

880 1. 0768 8 12. 183

11-3-2 1. 0523 2 12. 181

10-6-0 1. 0447 '2 TO TOO 12. loo

12-0-0 1. 0151 5 12. 181

12-2-0 1. 0014 5 12. 183

11-5-2 0. 9947 1 12. 183

12-2-2 . 9881 8 12. 182

11-6-1 . 9691 1 12. 181

11-6-3 . 9455 <1 12. 182

13-2-1 . 9235 1 12. 181

12-4-4 . 9183 6 12. 183

12-6-0 . 9080 12 12. 182

13-3-2 . 9031 1 12. 183

12-6-2 . 8981 5 12. 182

888 . 8792 5 12. 183

14-1-1 . 8657 1 12. 181

14-2-0 . 8615 1 12. 184

14-3-1 . 8488 2 12. 183

12-8-0 . 8447 4 12. 182

14-4-0 . 8368 12 12. 184

14-4-2 . 8289 10 12. 182

Average value of last five lines. 12. 183

22
Lutetium Manganite, LuMnOs (hexagonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of lutetium manganite was prepared, at NBS by S. Schneider from

stoichiometric mixtiu"es of lutetium oxide and

manganous carbonate. The mixture was pressed

into pellets and heated at 1,000 °C for 41 hr

then reheated at 1,150 °C for 21 hr. Spectrographic analysis showed the following major

impurities: 0.01 to 0.1 percent each of calcium

and magnesium; and 0.001 to 0.01 percent each

of aluminum and silicon.

The sample was a black opaque powder.

The oJ-values of the three strongest lines are: 2.668, 3.022 and 1.7449A.

Structural data. Yakel, Koehler, Bertaut, and

Forrat [1] in 1960 determined that lutetium

manganite has the space group Ci^—P63cm (No.

185), and 6[LuMn03]= per unit cell.

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

/

.1 02 5. 694 34

002 3. 851 11 110 3. 022 53

111 2. 922 26

004 on

112 2. 668 100

104 2. 501 9

202 2. 378 5 114 2. 073 36

204 1. 927 6

212 1. 869 5 115 1. 820 7 106 1. 785 11 300 1. 7449 39

302 1. 6684 10

214 1. 6252 7 116 1. 6075 19

206 1. 5370 6

220 1. 5112 9

221 1. 4979 5

304 1. 4877 27

222 1. 4609 15

117 1. 4334 3

008 1. 4246 3

312 1. 4071 1

108 1. 3741 8

216 1. 3701 3

224 1. 3351 8

314 1. 2940 3

118 1. 2882 4

225 1. 2595 4

208 1. 2511 2

404 1. 1895 2

226 1. 1826 5 322 ]. 1752 2

Lattice constants

a. c

1960 Yakel, Koehler, 6. 0428 11. 369

Bertaut, and

Forrat. [1] 1962 National Bureau of 6. 0455 11. 394 at Standards. 25 °C.

5 The density based on pyciiometer measurements of a pressed pellet is 7.5 g/cm'- indicating the number of molecules per unit cell as 6.

The density of lutetium manganite calculated

from the NBS lattice constants is 7.676 g/cm^ at

25 °C.

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal Standard,

tungsten, a=3.1648 A

d I

A

218 1. 1561 5 316 1. 1534 5 410 1. 1425 5 411 1. 1370 2

412 1. 1203 1

lO-lO 1. 1131 4

227 1. 1072 6

308 1. 1034 2 406 1. 0777 1 l-l-lO 1. 0661 1

414 1. 0603 7 2-0-10 1. 0447 3

228 1. 0364 3

502 1. 0297 2 415 1. 0213 1

318 1. 0166 4

l-O-ll 1. 0158 1 330 1. 0077 4

332 0. 9923 2

2-MO . 9874 2

416 . 9791 4

408 . 9638 1 417 . 9351 2

1-0-12 . 9344 1 328 . 9181 3

3-MO . 8964 3

2-0-12 . 8928 2

Reference

[1] H. L. Yakel, W. C. Koehler, E. F. Bertaut, and E. F. Forrat, Erbium manganite—a new ABO3 structure,

Acta Cryst. 13, 1015 (1960).

23
Manganese (II) Tungstate (huebnerite), MnW04 (monoclinic)

Powder Data cards

Card

number

Index

lines Radiation Source

10-477 3. 00

2. 96

3. 78

Iron Berry [1].

Additional published patterns. None.

NBS sample. The sample of manganese tungstate was prepared at NBS by reacting solutions of

manganese (II) chloride and sodium tungstate.

The precipitate was washed, dried, and heated to

1,000 °C for 10 min. Spectrographic analysis

showed the following impurities: 0.01 to 0.1 percent of silicon, and 0.001 to 0.01 percent of

calcimn.

The color of the sample was yellow brown.

The refractive indices were not determined be- cause the sample was too fine-grained.

The (/-values of the three strongest lines are: 2.996, 2.954, and 4.84 A.

Structural data. Broch [2] in 1929 determined

that manganese tmigstate has magnesium tungstate structm-e, the space group C2h*—P2/c (No.

13), and 2(MnW04) per unit cell. The lattice

constants of Broch have been converted from kX

to angstrom units for comparison with the NBS

values.

The density of manganese tungstate calculated

from the NBS lattice constants is 7.234 g/cm^

at 25 °C.

References

[1] L. G. Berry, Queen's University, Kingston, Ontario,

Canada.

[2] E. K. Broch, Untersuchungen iiber Kristallstrukturen

des Wolframittypus und des Scheelittypus, Skrifter

Norsk. Videns.-Akad. Oslo I. Mat.-Naturv. Kl

1939, No. 8.

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard,

tungsten, a==O.i04o A

d /

A

UiU 5. 76 22

lUU 4. 84 63

U i 1 3. 78 59

Tin 3. 70 56

111 2. 996 100

111 2. 954 95

2. 880 29

009 091 2. 497 54

1 90 2. 474 9

200 2. 416 19

2. 237 16

191 2. 209 26

119 2. 087 7 119 2. 057 11 211 2. 051 12

91

1

2. 021 10

1. 9205 5 099 1. 8871 16

990 1. 8507 16

130 1. 7843 26

T99 1. 7666 6

909 1. 7539 19

991 1. 7440 19

991 1. 7266 28

202 1. 7196 20

loi 1. 6839 4

919 1. 6777 5

1^1 loi 1. 6762 5

91 9 1. 6472 3 300 1. 6096 3

oi ^ 1. 5996 6

^1 o 1. 5501 2 Tl % 1. 5273 16

0^9 1. 5221 12

113 1. 5100 12

9^0 1. 5023 8

999 1. 4981 8

Oil 1. 4886 16

999 1. 4754 11 311 1. 4723 16

T'^9 1. 4568 12

1 V) 1. 4467 12 09^ 1. 4423 15

•^90 1. 4048 2 123 1. 3879 4

1. 3834 11

1xLo9^ 1. 3751 3

^09 i. 0004

Q91 1. 3587 6

321, 213 1. 3458 4

"^09 1. 3408 4

141 1. 3316 4

141, 312 1. 3284 8

213 1. 3216 3

312 1. 3056 2

232 1. 2949 4

232 1. 2804 4

24
Manganese (II) Tungstate (huebnerite), MnW04 (monoclinic)—Continued

Lattice constants

1930

1962

Broch [2] National Bureau of Standards

d h RM

A

4. 85

4. 829

A

5. 77

5. 759

A

4. 98

4. 998

90.88°

91.16° at 25 °C

Mercury (II) Fluoride, HgFa (cubic)

Powder Data cards. None

Additional published patterns. None.

NBS sample. The sample of mercury (II)

fluoride was obtained from the A. D. Mackay

Company, Inc., New York, N.Y. Spectrographic

analysis showed the following impurities: 0.01

to 0.1 percent of silicon, and 0.001 to 0.01 percent

of tin.

The color of the sample was orange. The re- fractive index was not determined because of the

small particle size.

The c?-values of the three strongest lines are: 3.196, 1.9576, and 2.768 A.

Structural data. Ebert and Woitnek [1] in

1933 determined that mercury (II) fluoride has

the fluorite structure, the space group Oh—Fm3m

(No. 225), and 4(HgF2) per unit cell. The

lattice constant of Ebert and Woitnek has been

converted from kX to angstrom units for comparison with the NBS value.

Lattice constants

A

1933 Ebert and Woitnek [1] 5. 55

1962 National Bureau of Standards. 5. 5373 at 25 °C

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Interna] standards,

hkl tungsten, a =3. 1648 A

d I a

A A

111 3. 196 100 5. 536

200 2. 768 43 5. 537

220 1. 9576 46 5. 5369

311 1. 6695 40 5. 5371

222 1. 5983 8 5. 5367

400 1. 3844 7 5. 5376

331 1. 2705 12 5. 5380

420 1. 2383 9 5. 5378

422 1. 1302 9 5. 5368

511 1. 0657 7 5. 5375

440 0. 9789 4 5. 5377

531 . 9361 10 5. 5379

600 . 9229 7 5. 5373

620 . 8756 8 5. 5377

533 . 8444 8 5. 5368

622 . 8348 4 5. 5372

444 . 7993 2 5. 5374

Average value of last five lines 5. 5373

Reference

[]] F. Eber

Fluori _ , - „ - _ 25 °C. anorg. u. allgem. Chem. 210, 269-272 (1933)

f The density of mercury (II) fluoride calculated ^ ^^^^^ ^ moitne^,, Kristallstrukturen von from the NBS lattice constant is 9.332 g/cm'^ at Fluoriden. II. HgF, HgFj, CuF und CuFa, Z.

25
Nickel Sulfate, NiS04 (orthorhombic)

Powder Data cards.

Card

number

Index

lines Radiation Source

1-1102 2. 55

4. 30

3. 58

Molybdenum Dow Chemical Company, Midland,

Michigan.

Additional published pattern. Hammel [1] 1939.

NBS sample. The sample of nickel sulfate was

prepared by heating nickel sulfate hexahydrate,

obtained from Baker and Adamson Chemical Co.,

with H2SO4 at 160 °C. Spectrograph ic analysis

showed the following impurities: 0.001 to 0.01 percent each of aluminum, iron, magnesium, and

silicon; and 0.0001 to 0.001 percent each of barium

and copper.

The color of the sample was greenish-yeUow.

The optical sign and the Ns could not be determined because the sample was too fine-grained.

The other refractive indices were Na= 1.695 and

N^= 1.723.

The (i-values of the three strongest lines are: 2.553, 3.564, and 3.334 A.

Structural data. Dimaras [2] in 1957 determined the structure of nickel sulfate; it has the

space group D^^—Cmcm (No. 63) and 4(NiS04)

per unit cell. Hammel [1] had previously re- ported lattice constants for nickel sulfate as a =

4.63, 6=6.52, and c=8.51 A.

Lattice constants

a h c

A A A

1957 Dimaras [2] _ ^ 5. 155 7. 842 6. 338

1962 National 5. 1596 7. 8362 6. 3378

Bureau of 25 °C.

Standards.

The density of nickel sulfate calculated from the

NBS lattice constants is 4.011 g/cm^ at 25 °C.

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a=3.1648 A

a /

A A

110 4. ol4 A 1 020 0. yzi

111 3. 564 80

021 3. 334 50

200 A 1

112

130 Z. 66 1 220 2. 156 3

221 2. 037 5 202 0 nn 1 Z. UUl

040 1. yoy 1 AID 132 7 023 1. 860 8

222 1. 781 25

310 X. D/y nI

042 1. 667 15

311 1. 629 8

004 1. 5845 10

133 1. 5652 7 241 1. 5147 7

150 1. 4999 6

312 1. 4839 12 024 1. 4691 7 151 1. 4592 3 330 1. 4363 13

242 1. 3996 26

152 1. 3552 6 134 1. 3104 5 400 1. 2894 20

243 1. 2545 3

153 1. 2229 3

115 1. 2161 4

421 1. 2027 3

References

[1] F. Hammel, Contribution &. I'dtude des sulfates de la

s6rie magn6sienne, Ann. chim. 11, 247-358 (1939).

[2] P. I. Dimaras, Morphology and structure of anhydrous nickel sulfate, ActaCryst. 10, 313-315 (1957).

26
Nickel Tungstate, NiW04 (monoclinic)

»

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of nickel tungstate

was prepared at NBS by the reaction of solutions

of nickel chloride and sodium tungstate. The

precipitate was washed, dried, and heated to

1,100 °C for 15 min. Spectrographic analysis

showed the following impurities: 0.01 to 0.1

percent of silicon; and 0.001 to 0.01 percent each

of aluminum, calcium, lead, and magnesium.

The color of the sample was light brown. The

refractive indices were not determined because

the sample was too fine-grained.

The cZ-values of the three strongest lines are: 2.889, 1.6788, and 2.455 A.

Structural data. Broch [1] in 1929 determined

that nickel tungstate has the magnesium tungstate structiire, the space group C2^^—P2/c (No.

13), and 2 (NiW04) per unit cell. The lattice

constants of Broch have been converted from

kX to angstrom units for comparison with the

NBS values.

Lattice constants

a h c

A A A

1930 Broch [1] 4. 69 5. 67 4. 94 89. 67°

1957 Keeling 4. 60 5. 66 4. 91 90. 08°

[2]. 1962 National 4. 600 5. 665 4. 912 «90. at Bureau 25 °C

of Standards.

The density of nickel tungstate calculated from

the NBS lattice constants is 7.952 g/cm^ at 25 °C.

References

[1] E. K. Broch, Untersuchungen iiber Kristallstrukturen

des Wolframittypus und des Scheelittypus, Skrifter

Norsk. Videns.-Akad. Oslo I. Mat.-Naturv. Kl. 1929

No. 8.

[2] R. 0. Keeling, Jr., The structure of NiWO^, Acta Cryst.

10, 209-213 (1957).

8 (Separation of monoclinic doublets was not detected in the NBS pattern,

so it was indexed as orthorhombie.)

hkl

(ortho.) 6

1962 National Bureau

of Standards

Cu, 1 5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

7 a

r

1

A

010 5. d7 7 100 4. bO 6z

on 3. 71 O A 34

no 3. 57 O A 34

111 2. 889 100

020 1. 834 15

002, 021 2. 456 ono9

120 I. 412 7 200 2. 3U1

102, 121 2. 166 25

210 2. 131 2

112 2. 024 -1 1 1

1

211 1. 966 1

1

030 1. ooo o 022 1. 856 10

220 1 "IOC1. 786 7 130 1. 7471 19

122 1. 7208 6

202, 221 1 £; ^7 o o

1. D/88 40

131 1. 6452 1

212 1. 6091 2 013 1. 6729 oO

300 1. 5337 2 032 1 /( ATO

1. 4973 A4

113 1. 4882 17

310 1. 4801 2

230 1. 4696 Q6

222 1 A A A ^ 1. 4441 1 132 1. 4234 lb

311, 023 1. 4173 23

041 1. oboy 7 123 1. 364b 3

320 1. 3485 1 141 1. 3047 5

302, 321 1. 3008 7

312 1. 2676 3

232 1. 2549 3

004, 042 1. 2276 3

223, 240 1. 2068 3

330 1. 1905 5

322 1. 1824 2 241 1. 1712 7 114 1. 1610 1 400 1. 1498 2 050 1. 1331 1

410, 024 1. 1266 1 150 1. 0998 4

411, 313 1. 0980 7

27
Potassium Chlororhenate, KzReCIe (cubic)

Powder Data cards

Card

number

Index

lines Radiation Source

3-0085

5. 7

2. 47

2. 98

Copper Aminoff [1] 1936.

Additional published patterns. None.

NBS sample. The sample of potassium chlororhenate was prepared at NBS by R. Johannesen

from chlororhenic acid. Spectrographic analysis

showed the following impurities: 0.001 to 0.01 percent silicon, sodium, and rubidium; and 0.0001 to

0.001 percent of calcium.

The color of the sample was yellow. The refractive index could not be determined because the

color was too intense.

The rf-values of the three strongest lines are: 5.68, 3.48, and 2.967 A.

Structural data. Aminoff [1] in 1936 determined

that potassium chlororhenate has the potassium

chloroplatinate structure, t he space group Oh

Fm3m (No. 225) and 4(K2lleCl6) per unit cell. The unit cell measurement reported by Aminoff

has been converted from kX to angstrom units for

comparison mth the NBS value.

Lattice constants

A

1936 Aminoff [1] 9. 881

1962 National Bureau of Stand- 9. 840 at

ards. 25 °C.

The density of potassium chlororhenate calculated from the NBS lattice constant is 3.325 g/cm^

at 25 °C.

Reference

[1] Brita Aminoff, tJber die Kristallstruktur von KaReCle,

Z. Krist. (A) 94, 246-248 (1936).

1962 National Bureau of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

hkl silver, a =4.0861 A

a J a

JL 111 5. 68 100 9. 84

ZUU 4. 92 39 9. 85

220 o. '±o A 9 y. 311 9 Qft7 AO y. s-iz 222 9 Sztn ^. o4tU QO y. ocsy

400 2. 460 40 9. 841

661 2. 257 15 9. 838

420 9 9m 10

422 9 noR 10 y. 04U

511 1 J. 1. oy-it 10 y. o'lii

440 1. 739 19 9. 840

1. 663 13 9. 839

600 i. D^U 0 y. ooy

620 1. OOD y. ooo

533 1. ouu Q y. ooy

444 1. 420 5 9. 840

Tl 1

/ 1 i 1. 3781 6 9. 842

640 i. oo-ti Q QA 1 y. o4i

642 1 '^1 ^^9 A 731 QO y. o-iz

800 1. 2300 <1 9. 840

/ OO 1. 2022 <1 9. 840

820 X. ivoo o y. o'*u 822 1 1 CQC 1. ioyo o Q QAI y. o^ti 751 oL 0 RA9

840 1. 1003 3 9. 841

91

1

1. 0803 2 9. 842

842 X. \J i y. o^o

664 11. OAQl XJ^ij L y. o-ii 931 1. UOiO

844 1. 0046 2 9. 843

\)66 0. 9890 1 9. 840

1000 ^1 < J- y. o^o

10-2-0 1 y. o-ii 951 . 9514 <1 9. 841

953 . 9175 1 9. 839

lU-4-U . 9135 2 9. 839

10-4-2 . 8984 <1 9. 841

11-M . 8874 <1 9. 842

880 . 8699 <1 9. 842

11.31 . 8598 3 9. 841

10-4-4 . 8567 <1 9. 843

10-6-0 . 8439 <1 9. 841

11-3-3 . 8347 <1 9. 841

12-0-0 . 8201 1 9. 841

11-51 . 8115 <1 9. 839

12-2-2 . 7981 <1 9. 840

11-5-3 . 7904 <1 9. 840

Average value of last five lines 9. 840
Potassium Nitroso Chlororuthenate, K2RUCI5NO

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of potassium nitroso

chlororuthenate was prepared at NBS by R.

Johannesen by heating together on a steam bath

a soluble ruthenium salt, potassium chloride,

and concentrated nitric acid.

The color of the sample was very dark red.

The refractive indices are N„= 1.750, N^= 1.762,

and Nt,= 1.777. 2V is approximately 90°.

The <i-values of the three strongest lines are: 5.75, 5.62, and 2.594 A.

Structural data. The structure of potassium

nitroso chlororuthenate has not been reported.

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a-= 3.1648 A

d I

A

6. 50 <4

6. 39 <4

6. 13 8

5. 75 100

5. 62 93

5. 28 17

5. 20 27

4. 79 29

4. 36 <4

4. 08 6

3. 96 10

3. 73 4

3. 52 23

3. 45 27

3 328 16

3. 176 <4

3. 091 12

3. 059 11

3. 027 15

2. 996 14

2. 934 7

2. 873 13

2. 805 36

2. 720 36

2. 632 8

2. 594 48

2. 481 <4

2. 409 7

2. 393 10

2. 277 15

2. 262 10

2. 211 10

2. 167 <4

2. 137 <4

2. 105 7

2. 071 14

2. 063 16

2. 037 7

1. 999 4

1. 980 10

29
Rubidium Perchlorate, RbC104 (orthorhombic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of rubidium perchlorate was prepared at NBS by the reaction of a solution of rubidium nitrate with perchloric acid.

The precipitate was recrystallized several times to

improve the pm'ity. Spectrographic analysis

showed the following impurities: 0.01 to 0.1 percent each of cesium, potassium, and sodium; and

0.001 to 0.01 percent of silicon.

The sample is colorless and optically negative

with the indices of refraction N„= 1.465, N^=

1.470, and N.,= 1.472. 2V=60°.

The d-values of the three strongest lines are: 3.63, 3.26, and 2.228 A.

Structural data. Biissem and Herrmann [1] m

1928 determined that rubidium perchlorate has

the potassium sulfate structm'e, the space group

D^^Pbnm (No. 62), and 4(RbC104) per unit cell. At 279 °C the orthorhombic form transforms to

face-centered cubic. The lattice constants of

Biissem and Herrmann have been converted from

kX to angstrom units for comparison with the

NBS values.

Lattice constants

a h c

A A A

1928 Biissem and 7. 55 9. 29 5. 82

Herrmann [1]. 1962 National Bureau 7. 490 9. 269 5. 814 at

of Standards. 25 °C

The density of rubidium perchlorate calculated

from the NBS lattice constants is 3.042 g/cm^ at

25 °C.

Reference

[1] W. Biissem and K. Herrmann, Rontgenographische

Untersuchung der einwertigen Perchlorate, Z. Krist 67, 405-408 (1928).

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

flKl Internal standard.

tungsten, a-= 3.1648 A

a

TI

111 i i i A

4. 12 23

200 3. 74 41

021 O. DO 1 f\f\ iUU

01 n ziU 3. 47 50

1 O 1 3. 26 89

2. 982 51

002 2. 907 37

130 Z. oOo 7 OO 1 2. 605 22

2. 464 8

2. 410 3

230 2. 384 4

122

2. 318 <l

oil 2. 228 60

1 /in 2. 214 38

231 2. 206 38

041 QO

1 2. 057 <1

1 QO 2. 038 4

ooU 1. 9418 10

103 1. 8765 3

400 QO ool 1. 8416 5

/I 1 A 1. 8356 4

iOU 1. 7997 1 023 1. 7875 5 142 i. /ouy

1. 7505 4

1. 7387 6

A on 1. 7357 4

340 1. 6984 4

213 1. 6928 8

421 1. 6633 1 250 1. 6609 2

332 1. 6145 13

251 1. 5970 3

402 1. 5741 2

412 1. 5518 5 431 1. 5438 2

303 1. 5303 1

30
Rubidium Periodate, RbI04 (tetragonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sanaple of rubidium periodate was prepared at NBS by the reaction of

solutions of sodium periodate and rubidium

nitrate. The precipitate obtained was recrystallized several times to improve the purity.

Spectrographic analysis showed the following

impurities: 0.1 to 1.0 percent of sodium; 0.01 to

0.1 percent of potassium; and 0.001 to 0.01

percent each of cesium and silicon.

The sample was colorless and optically positive

with the refractive indices No= 1.603 and Ne=

1.621.

The values of the three strongest lines are: 3.52, 2.193, and 2.961 A.

Structural data. Beintema [1] in 1937 determined that rubidium periodate has the scheelite

structure, the space group Cii—I4i/a (No. 88),

and 4(E.bI04) per unit cell. The unit cell

measurements reported by Beintema have been

converted from kX to angstrom units for comparison with the NBS values.

Lattice constants

a c

A A

1937 Beintema [1] 5. 89 12. 96

1962 National Bureau of 5. 921 13. 052 at

of Standards. 25 °C.

The density of rubidium periodate calculated

from the NBS lattice constants is 4.011 g/cm^ at

25 °C.

Reference

[1] J. Beintema, Die Kristallstruktur der Alkaliperrhenate

und—jodate, Z. Krist 97A, 300-332 (1937).

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

d /

A

101 5. 39 14

112 3. 52 100

004 3. 26 17 200 2. 961 20

202 2. 694 <1

211 2. 594 3

114 2. 573 2 213 2. 262 1 204 2. 193 22

220 2. 093 10

222 1. 9939 <1

116 1. 9301 11 215 1. 8585 2

312 1. 7994 17 224 1. 7618 10

321. 008 1. 6300 2 305 1. 5739 <1

323 1. 5356 <1

217 1. 5237 <]

400 1. 4796 2

208 1. 4283 6

316 1. 4186 9

332 1. 3642 4

404 1. 3476 3

420 1. 3237 3

228 1. 2864 2

l-l-lO 1. 2454 1 424 1. 2262 3

501 1. 1788 <1

336 1. 1750 1

512 1. 1438 3

408 1. 0964 1 0-0-12 1. 0880 <1

3-1-10 1. 0711 1 440 1. 0468 <1

428 1. 0283 1 516 1. 0248 2 2.0-12 1. 0212 1 532 1. 0034 1 444 0. 9969 1

600 . 9869 <1

2-212 . 9650 1 3-3-10 . 9532 <1

604 . 9447 <1

620 . 9363 <1

536 . 9200 1 1-1-14 . 9100 <1

624 . 8997 1 448 . 8808 3

31
Silver Selenate, Ag2Se04 (orthorhombic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of silver selenate was

obtained from City Chemical Corp., New York,

N.y. Spectrographic analysis showed the following major impurities: 0.1 to 1.0 percent sodium;

and 0.001 to 0.01 percent each of calcium, magnesium, and silicon.

The color of the sample was grey-white. The

indices of refraction coidd not be determined be- cause the sample was too fine-grained.

The (f-values of the three strongest lines are: 2.930, 2.742, and 3.246 A.

Structural data. Herrman and Ilge [1] in 1931

determined that silver selenate has the silver

sulfate structure, the space group Di^—Fddd (No.

70), and 8(Ag2Se04) per unit cell. The unit cell measurements reported by Herrman and Ilge have

been converted from kX to angstrom units for

comparison with the NBS values.

Lattice constants

a h c

1931 Herrman and

A

10. 232

A

12. 841

A

6. 081

1962

Ilge [1]. National Bureau of

Standards.

10. 388 12. 981 6. 0499 at 25 °G

The density of silver selenate calculated from

the NBS lattice constants is 5.839 g/cm^ at 25 °C.

Reference

[1] K. Herrman and W. Ilge, Die Struktur des Silbersulfats, Z. Krist. 80, 402-415 (1931).

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard,

tungsten, a-= 3.1648 A

d /

A

220 4. 061 6

040 3. 246 73

311 2. 930 100

022 2. 742 81

202 2. 615 4

331 2. 469 37

222 2. 425 4

151 2. 325 3

242 2. 036 4

260 1. 997 4

351 1. 965 37

511 1. 945 6

. 531 1. 791 2

062 1. 7599 23

313 1. 7278 15

620 1. 6740 7 080 1. 6226 6

333 1. 6170 14

371 1. 5786 12

004 1. 5127 7

602 1. 5038 7 353 1. 4473 6

224 1. 4173 <1

044 1. 3707 8

642 1. 3638 10

660 1. 3523 7 391 1. 3001 5 373 1. 2698 4

751 1. 2610 1 010-2 1. 1926 5

1. 1380 3

911 1. 1303 2

624 1. 1222 3

393 1. 1110 2 084 1. 1064 3

682 1. 1033 3

3111 1. 0985 2 0-120 1. 0817 2

355,862 1. 0456 2 6-10-0 1. 0391 3

664 1. 0083 2

026 0. 9966 1 3-11-3 . 9771 1

32
Sodium Cyanate, NaCNO (trigonal)

Powder Data cards. None.

Additional published pattern. None.

NBS sample. The sample of sodium cyanate

was obtained from the City Chemical Corp.,

New York, N.Y. Spectrographic analysis showed

the following impurities: 0.01 to 0.1 percent each of

aluminum, calcium, iron, magnesium, and silicon;

and 0.001 to 0.01 percent each of barium, nickel,

and strontium.

The color of the sample was white and it is optically positive. The indices of refraction are Ne= 1.629, and No- 1.390

The c?-values of the tlu-ee strongest lines are: 2.872, 1.794, and 2.167 A.

Structural data. Bassiere [1] in 1938 determined that sodium cyanate has the sodium

hydrofiuoride structm-e, the space group C3I—^R3m

(No. 160) with 3 (NaCNO) per unit cell. The

unit cell measurements reported by Bassiere have

been coverted from kX to angstrom imits for

comparison with the NBS values.

Lattice constants

a c

A A

1938 Bassiere [1] 3. 583 15. 13

1962 National Bureau of 3. 5851 15.110 at Standards. 25 °C.

The density of sodium cyanate calculated from

the NBS lattice constants is 1.949 g/cm^ at 25 °C.

Reference

[1] M. Bassiere, Sur la structure de I'isocvanate de sodium,

Compt. rend. 206, 1309-1311 (1938)

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

d /

A

003 5. 038 7 101 3. 044 11

012 2. 872 100

006 2. 517 1 104 2. 400 10

015 2. 167 18

110 1. 794 21

107 1. 774 9

113 1. 689 2 009 1. 6788 2

018 1. 6134 2 021 1. 5442 <^ 1 202 1. 5210 />D 116 1. 4605 <i

024 1. 4357 1

205 1. 3810 2

1010 1 0 con1. 3589 3

027 1. 2600 3

119 1. 2253 1 208 1. 1989 <1

122 1. 1595 2

214 1. 1206 1 125 1. 0937 <1

0-2-10 1. 0827 <1

300 1. 0348 1

217 1. 0307 2 0-1-14 1. 0194 <1

2-1-10 0. 9270 1 1-0-16 . 9035 1 220 . 8964 1

20-14 . 8863 <1

Sodium Orthotungstate (VI) Dihydrate, Na2W04 • 2H2O (orthorhombic)

Powder Data cards

Card

number

Index

lines Radiation Source

1-0107 6. 9

4. 22

3. 17

Molybdenum Hanawalt, Rinn, and

Frevel [1] 1938.

Additional published patterns. None.

NBS sample. The sample of sodium orthotungstate dihydrate was obtained from the Allied

Chemical and Dye Corp., New York, N.Y. Spectrographic analysis showed the following impurities: 0.01 to 0.1 percent silicon, and 0.001 to 0.01

percent each of calcium and lead.

The sample is colorless and optically positive.

The indices of refraction are Na= 1.554, N;3=

1.556, and N^= 1.568.

The c?-values of the three strongest lines are: 6.91, 3.17, and 4.23 A.

Lattice constants

a b c

A A A

1960 Pistorius [3] 10. 601 13. 842 8. 456

1962 National Bu- 10. 604 13. 844 8. 455 at reau of 25 °C.

Standards.

The density of sodium orthotungstate dihydrate

calculated from the NBS lattice constants is 3.523

g/cm^ at 25 °C.

33
Sodium Orthotungstate(VI) Dihydrate, Na2W04-2H20 (orthorhombic)—Con.

Structural data. Poljak and Becka [2] in 1958

determined that sodium orthotungstate dibydrate

is isomorphous with sodium orthomolybdate dihydrate, having the space group —Pbca (No. 61)

and 8(Na2W04-2H20) per unit cell.

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

silver, o=4.0861 A

d

A

020 6. 91 100

111 5. 98 22

200 5. 29 21

121 4. 78 15

002 4. 23 63

220 4. 21 2

131 3. 79 15

022 3. 61 60

040 3. 46 17

122 3. 42 6

202 3. 309 47

231 3. 221 14

311 3. 173 80

141 3. 069 36

132 2. 988 54

240 2. 898 22

241 2. 745 6

232 2. 684 43

331, 312 2. 664 38

410 2. 601 6

151 2. 556 1 420 2. 475 2

250 2. 457 6

242 2. 394 11

251 2. 359 8

133 2. 347 8

060 2. 309 6

430 2. 302 6

043, 161 2. 181 30

143 2. 145 8

252 2. 121 15

004, 351 2. 112 12

440 2. 106 4

511 2. 034 30

062 2. 028 20

162 1. 993 18

521 1. 970 6

1. 915 3

171 1. 894 22

442 1. 886 12

531 1. 879 15

270 1. 855 4

271 1. 809 6

063 1. 789 6

433 1. 784 5

600 1. 766 8

172 1. 764 9

452 1. 746 8

hkL

1962 JNational Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

silver, a =4.0861 A

d I

080

353

A

1. 732

1. 728

2

11

620

272

513

621, 181

551

1. 712

1. 699

1. 684

1. 676

1. 652

9

519

19

7

523

462

344

372

363

1. 646

1. 610

1. 605

1. 596

1. 592

5

3

6

9

9

1 i 182

640

552

064

632

1. 583

1. 576

1. 563

1. 559

1 COO

1. 538

54

4

3

1

561

282

235

145

191

1. 535

1. 531

1. 521

1. 508

1. 500

13

7

2

2

650

472

711

642

623

1. 489

1. 486

1. 483

1. 476

1. 464

3

10

8

2

7

291, 480,

335

553

174, 155

364, 702

1

1. 452

1. 445

1. 431

1. 426

2

3

12

534, 283

415

652

660

345

1. 422

1. 418

1. 405

1. 402

1. 396

55

2

2

3

0-10.0

643, 544

563

604

1. 386

1. 373

1. 365

1. 356

2

2

2

10

References ^^^^^^

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis by X-ray diflfraction, Ind. Eng. Chem.,

Anal. Ed. 10, 457-512 (1938).

[2] R. J. Poljak and L. N. Becka, Estudio cristalografico del molbdato de sodio dihidrato, Anales asoc. qm'm.

argentina, 46, 199-203 (1958).

[3] C. W. F. T. Pistorius, Unit cell and space group of sodium molybdate dihydrate, Z. Krist. 114, 154-155

(1960).

34
Sodium Tetrametaphosphate Tetrahydrate, high form Na4P40,2*4H20 (triclinic)

Powder Data cards

Card Index Radiation Source

number lines

*ll-389 9. 4

5. 2 Copper Corbridge and

Tromans (1) 1958.

3. 10

*This card refers to the high form and identifies it as alpha-sodium tetra- metaphosphate tetrahydrate.

Additional published patterns. Thilo and Ratz

[2] 1949, Bell, Audrieth, and Hill [3] 1952, and

Bonneman [4] 1937.

NBS sample. The sample of sodium tetrametaphosphate tetrahydrate was prepared at

NBS by H. Ondik according to the Warschauer

[5] process and purified by the method used by

Barney and Gryder [6]. The triclinic form was

obtained by precipitating very slowly from solutions with alcohol above approximately 30 °C.

Spectrographic analysis showed the following impurities: 0.01 to 0.1 percent each of aluminum,

chromium, and tungsten; and 0.001 to 0.01 percent

each of iron, magnesium, manganese, nickel, silver,

tin, titanium, and zirconium.

The sample is colorless.

The (i-values of the three strongest lines are: 5.17, 9.25, and 3.075 A.

Structural data. Ondik [7] in 1961 determined

the structm"e of the high temperature form of

sodium tetrametaphosphate tetrahydrate which

has the space group CI—Pi (No. 2) with 1 (Na4P40i2-4H20) per unit cell. The low temperature form of sodium tetrametaphosphate

tetrahydrate is reported on Powder Data cards

numbered 11-15 and 11-1 5a.

The density of sodium tetrametaphosphate

tetrahydrate calculated from the NBS lattice

constants is 2.146 g/cm^ at 25 °C.

References

[1] D. E. C. Corbridge and F. R. Tromans, Identification

of sodium phosphates with an x-ray focusing camera,

Anal. Chem. 30, 1101-1110 (1958).

[2] E. Thilo and R. Ratz, Uber die Kionstituten des

Natriumtetraphosphates und Eigenschaften der

Tetraphosphate, Z. anorg. Chem. 260, 255-266

(1949).

[3] R. N. Bell, L. F. Audrieth, and 0. F. Hill, Preparation

of sodium tetrametaphosphate, Ind. Eng. Chem. 44, »No. 3, 568-572 (1952).

[4] P. Bonneman, Sur les t6tram6taphosphates, Compt.

rend. 204, 865 (1937).

[5] F. Warschauer, Z. anorg. allgem. Chem. 36, 137 (1903).

[6] D. L. Barney and J. W. Gryder, An ion-exchange

purification of sodium tetrametaphosphate, J. Am.

Chem. See. 77, 3195-3198 (1955).

[7] Helen M. Ondik and Stanley Block, The structure

of the monoclinic form of sodium tetrametaphosphate

tetrahydrate. Acta Cryst. 14, 555-561 (1961).

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal Standard,

Tungsten, a=3.1648 A

d I

A A

010 y. z5

100 6. 31 31

001 0. o6 OA

oil 5. 64 54

110 5. 56 9

TOl 5. 17 100

110 4. 90 65

TTl 4. 756 30

020 4. 616 8

Oil 4. 438 25

Til 4. 300 34

T20 3. 988 13

iTl 3. 803 46

120 3. 505 30

121 3. 332 39

U^l 3. 234 67

201 3. 227 37

200 3. 153 24

210 3. 115 91

TT2 030 3. 075 93

031

211 3. 046 32

T02 3. 037 32

130 002 2. 920 12

210 2. 867 3

022 O CIO

131 2. 795 35

220 2. 785 11

Tl2 2. 724 5 221 2. 656 23

221 /. Do/ OA

130 2. 631 30

121 2. 609 41

012 2. 598 38

T31 2. 514 8

031

032 2. 461 42

220 2. 454 34

132 2. 428 1 122 2. 385 8

102 Z. 6ia la

230 2. 367 14

T22 2. 326 7 040 2. 309 5 T40 2. 268 8

231 2. 235 7

141, 231 2. 220 13

141 2. 209 21

132 2. 180 7 311 2. 172 7 222 2. 148 1 oiU 2. 112 13

113 2. 106 15

300 2. 102 11

230 2. 067 5

142, 123 2. 054 7

35
Sodium Tetrametaphosphate Tetrahydrate, high form Na4P40i3-4H20 (triclinic) —Con.

Lattice constants

a b c a /3 7

1962 National Bureau of Standards.

A

6. 653

A

9. 577

A

6. 321 103. 40° 106. 98° 93. 29° at 25 °C

Strontium Arsenate, Sr3(As04)2 (trigonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of strontium arsenate

was prepared at NBS by reacting solutions of

strontium chloride and arsenic (V) acid. The

precipitate was washed several times, dissolved in

nitric acid, reprecipitated by addition of ammonia,

and heated to 1,110 °C for 1 hour. Spectrographic

analysis showed the following impurities: 0.01 to

0.1 percent each of aluminum, antimony, lead,

and sUicon; and 0.001 to 0.1 percent each of

barium, calcium, copper, iron, magnesium, and

tin.

The sample was colorless and too fine-grained

to allow determination of the indices of refraction.

The ^-values of the three strongest lines are: 3.08, 2.796, and 2.071 A.

Structural data. Durif [1] in 1959 determined

that strontium arsenate is isostructural with

strontium phosphate, with

Did—R3m (No. 166) and

rhombohedral unit cell or hexagonal unit cell.

the space group

l[Sr3(As04)2] per

3[Sr3(As04)2] per

Lattice constants

a c

A A

1959 Durif [1] 5. 581 19.98

1962 National Bureau of 5. 587 20.004 at Standards. 25 °C

The density of strontium arsenate calculated

from the NBS lattice constants is 4.980 g/cm^

at 25 °C.

Reference

[1] A. Durif, Structure cristalline des orthovanadates et orthoarseniates de baryum et de strontium, Acta

Cryst. 13, 420-421 (1959).

hkl

(hex.)

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a=3.1648 A

d I

A

006 3. 33 3

015 3. 08 100

110 2. 796 96

202 o5

009 9 024 2. 178 6

205 2. 071 50

lO-lO 1. 8489 33

119, 208 i. / oy* Z 125 i. 0DC)9 o4

300 1. 6129 19

0-210 1. 5421 13

20-11 1. 4537 2 220 1. oy /U 1 / 2-1-10 Is 00-15 1. 3338 2 315 i. Zt zo lo

1-1-15 1. 2036 12

229, 318 1. 1826 2 045 1. 1579 6

1-2-14 1 1 o Kn I. LZo's) <1

1-310 1. i 148 lU

235 1. 0695 8

410 1. 0558 8

4 0.10 ^97 1. 0351 4

3-0-15 1. 0278 9

1-3-13 1. 0116 <1

0-1-20 0. 9795 3

3-2-10 . 9706 6

. 9646 5 419 . 9538 <1

505 . 9405 3

330 . 9312 3

20-20 . 9244 2

2-1-19 . 9125 2

425 . 8913 6

1-2-20 . 8775 5

0-5-10, 247 . 8711 3

155 . 8492 5

2-4-10, 517 . 8315 5 4.1-15 . 8278 12

4-2-11 . 8169 <1

600 . 8063 4

31-20 . 8019 4

1-1-24 . 7987 2 5110 . 7969 5 10-25 . 7S94 2 345 . 7801 5

36
Thallium (I) Arsenate, TI3ASO4 (hexagonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of thallous arsenate

was prepared at NBS by reaction of a solution of

thallous sulfate with a solution of arsenic oxide in

concentrated nitric acid. The sparingly soluble

precipitate was recrystallized from a boilingaqueous solution. Spectrographic analysis

showed the following impurities: 0.01 to 0.1

percent each of aluminum, calcium, silicon, and

sodium; and 0.001 to 0.01 percent each of copper,

iron, lead, and magnesium.

The sample was pale yellow. The indices of

refraction were not determined because they

were greater than 2.00.

The (^-values of the three strongest lines are: 3.015, 3.303, and 2.786 A.

Structural data. No reference was found for

the structure of thallous arsenate; however, it is thought to be isostructural with thallous phosphate, with the space group Q—P63 (No. 173)

and 2(Tl3As04) per unit cell.

Lattice constant

a c

A A

1962 National Bureau of 8. 516 5.234 at Standards. 25° C.

The density of thallous arsenate calculated

from the NBS lattice constants is 7.596 g/cra^

at 25 °C. The average density obtained with

the Berman balance was 7.51 g/cm^ at 25 °C.

hkl

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

T

1

A

100 7. 39 8

110

200 O. UO 1 9f> 111 o. oyjo Q7

201 ^ no

210 2. 786 58

002 9 fil 7 9^^ 300 1 Q

112 9 9-^0 1 1 ± Jl 301 9 99fi 1 1 X X

202 2. 135 11 220 9 1 "^n q 310 9 04- ^il 94

221 1 Q791 R 212 1 Qf\7f\ 4fi

311 1. 9053 49

400 1 Q4.Q7 1. O^O / 3o 302 1 7Q94. 7 320 1 fiC)9n Ko 222 ^ RMS rto

312 1. 6113 40

203 1 . 'J t to xu 411 11. *JOOT: ^%RA 4

402 11. 0\J ^(\7A1 T: \

213 1 4.788

500 1. 4752 3 322, 501 1 4909 1X 9^ 420 i. Ovot 0 331 1 '^7fl9 2 223 J., ooyjyj 1X

421 1. 3471 1 313 1. 3276 7 004 1. 3091 4

502 1. 2851 6

114 1. 2511 1

422 1. 2303 5 323 1. 2147 2 601 1. 1965 <1

431, .520 1. 1811 9

304 1. 1551 6

503 1. 1264 6

314 1. 1023 3

333 1. 1010 4

423 1. 0893 1 522 1. 0764 5

37
Thallium(I) Perchlorate, TICIO4 (orthorhombic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of thallium perchlorate was prepared at NBS by reaction of solutions

of thallium (I) sulfate and. barium perchlorate.

The product was purified by recrystallization.

Spectrographic analysis showed the following

to be the chief impiirity: 0.001 to 0.01 percent

of iron.

The sample was colorless and optically negative

with the refractive indices N„= 1.640, N^^ 1.644,

N^= 1.647, and 2V s 70°.

The c?-values of the three strongest lines are: 3.64, 2.234, and 3.278 A.

Structural data. Biissem and Herrmann [1] in 1928 determined that thallium (I) perchlorate

has the BaSO^ structure, the space group DJh

Pbnm (No. 62), and 4(T1C104) per unit cell. According to Herrmann and Ilge [2] and Braeklcen

and Harang [3], at temperatm-es above 266 °C,

there exists a cubic form with the KCIO4

structure.

Lattice constants

a h c

A A A

1928 Biissem and 7. 52 9. 44 5. 89

Herrmann [1]. 1962 National Bureau 7. 510 9. 304 5. 845 at

of Standards. 25 °C

The lattice constants of Biissem and Herrmann

were converted from kX to angstrom units for

comparison with the NBS values.

The density of thaUium perchlorate calculated

from the NBS lattice constants is 4.940 g/cm^ at

25 °C.

References

[1] W. Biissem and K. Herrmann, Rontgenographische

Untersuchung der einwertigen Perchlorate, Z. Krist. 67, 405-408 (1928).

[2] K. Herrmann and W. Ilge, Rontgenographische

Strukturerforschung der kubischen Modifikation der

Perchlorate, Z. Krist. 75, 41-66 (1930).

[3] H. Braekken and L. Harang, Die kubische Hochtemperaturstruktur einiger Perchlorate, Z. Krist.

75, 538-549 (1930).

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

hkl Internal standard.

tungsten, a== 3.1648 A

d I

A 1 1 n IIU 5. 84 4

021) 4. 65 30

lUl 4. 61 54

111 4. 14 39

120 o. yo 1 Aly

zOO 3. 76 40

3. 64 100

3. 485 59

121 3. 278 75

211 oo

00-^, ZM 2. 922 40

1 OA 130 2. 867 11

112, 221 2. 614 21

022 2. 475 9

310 Z. 41 / 6

OOA 230 2. 391 3

122 2. 350 24

n An 040 2. 326 4

202 2. 306 6

311 O oo A2. 204: 7o

140 2. 222 47

oo 1 231 2. 213 42 A /I 1 U41 2. 161 13

222 2. 066 5 132 2. U4/ 0

OOA 330 1. 9485 14

103 1. 8860 5 400 1. 8783 3 113, 331 1. 8479 8

410 />D AOO 023 1. 7970 6

142 1. 7688 14

411 1. 7552 5 123 1. 7480 5 213 1 700

1

i. (<J<jV A4

421 1. 6681 1 223, 332 1. 6212 14

251 1. 6036 3 402 1. 5793 <1

412 1. 00/2 »

OoO 1. 5501 10

AO 1 431 1. 5485 12

303 1. 5374 4

313 1. 5167 8

233 1. 5107 6

061 1. 4981 9 043, 350 1. 4938 9 510 1. 4826 <1

161 1. 4696 9

004, 440 1. 4613 G

501 1. 4545 4

38
Yttrium Arsenate,

Powder Data cards

Card

number

Index

lines Radiation Source

2-0440 3. 39

1. 79

2. 60

Chromium Strada and Schwendimann [1] 1934.

Additional published patterns. None.

NBS samples. The sample of yttrium arsenate

was prepared at NBS by mixing solutions of

yttrimn chloride and sodium hydrogen arsenate.

The precipitate was filtered, washed, and then

heated to 750 °C. The yttrium chloride was

obtained from the Lindsay Chemical Company,

West Chicago, lU. Their spectrographic analysis

showed the presence of the following impurities

in the chloride: a combined maximum as oxides

of 0.1 percent of dysprosium and gadolinium and

traces of terbium. Spectrographic analysis at

NBS showed the following additional impurities

in the arsenate: 0.1 to 1.0 percent of silicon;

0.01 to 0.1 percent of calcium and sodiimi; and

0.001 to 0.01 percent aluminum, boron, copper,

iron, lead and magnesium.

The sample was colorless. The indices of

refraction could not be determined because of the

small particle size.

The <i-values of the three strongest lines are:

3.52, 2.661, and 1.8171 A.

Structural data. Strada and Schwendimann

[1] in 1934 determined that yttrium arsenate has

the zircon structmre, the space group Dl^— I4i/

amd (No. 141) and 4 (YASO4) per unit cell.

Lattice constants

a c

A A

1934 Strada and Schwendi- 6. 914 6. 293

mann [1]. 1957 Durif and Forrat [2] 7. 06 6. 30

1962 National Bureau of 7. 039 6. 292 at Standards. 25 °C

The density of yttrium arsenate calculated

from the NBS lattice constants is 4.853 g/cm^

at 25 °C.

'4 (tetragonal)

1962 National Bureau

of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a = 3. 1648 A

d /

A

3. 52 100

112 2. 661 73

220 2. 490 18

909 2. 347 5

2. 199 D

2. 010 3

321 1. 866 4

312 1. &17 DO

4-00 1. /bO Id

490 1. 674 1 A 14

1. 468 16

204 1. 4359 11

501 1. 3/37

224 1. 3293 1 A 14

512 1. 2644 14

440 1 2446 4

404, 600 1. 1731 11 532 1. 1272 15

494 fi9n 1. 1128 15

1. 0258 6

444, 640 0. 9760 7

316, 712 . 9488 14

604 . 9404 5 624 . 9085 8

732 . 8867 10

800 . 8799 3

820 . 8538 3

516 . 8349 10

644, 660 . 8295 7

References

[1] M. Strada and G. Schwendimann, La structura

cristallina di alcuni fosfati dei metalli trivalenti.

II. Arseniato e fosfato di ittrio, Gazz. chim. ital 64,

662-674 (1934).

[2] A. Durif and F. Forrat, Sur quelques arseniates des

terres rares a structure zircon, Compte rend. 345,

1636-1638 (1957).

39
Zinc Tungstate, ZnW04 (monoclinic)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of zinc tungstate was

prepared at NBS by the reaction of solutions of

zinc chloride and sodium tungstate. The precipitate was washed, dried, and heated to 1,000 °C for

10 min. Spectrographic analysis showed the following impurities: 0.01 to 0.1 percent of sodium

and 0.001 to 0.01 percent of silicon.

The color of the sample was gray. The indices

of refraction were not determined because the

sample was too fine-grained.

The (^-values of the three strongest lines are: 2.931, 2.908, and 3.73 A.

Structural data. Broch [1] in 1929 determined

that zinc tungstate has the magnesium tungstate

structure, the space group Ctk—P2/c (No. 13), and

2(ZnW04) per unit cell. The lattice constants of

Broch have been converted from kX to angstrom

units.

The density of zinc tungstate calculated from

the NBS lattice constants is 7.870 g/cm^ at 25 °C.

Reference

[1] E. K. Broch, Untersuchungen iiber Kristallstrukturen

des Wolframittypus und des Scheelittypus, Skrifter

Norsk. Videns.-Akad. Oslo I. Mat.-Naturv. Kl.

No. 8 (1929).

1 Qfi9 IVTa+iriTinl TlnroQii of Standards

Cu, 1.5405 A at 25 °C

Internal standard,

tungsten, a=3.1648A

d 7

A

010 5. 72 10

4. 69 35

m 1 3. 73 38

3. 62 37

111 2. 931 100

Til 2. 908 90

2. 859 23

021 2. 472 37

002 2. 464 34

1 90 2. 442 "7

200 2. 346 16

1 91 2. 192 16

102 2. 191 16

T91 J. ^ X 2. 183 18

1 1 9 2. 046 7

T12 2. 029 7

91^ X 1X 1. 994 5

91^ X 1X 1. 978 5 030 1. 906 2 022 1. 866 14

220 1. 813 13

1 ^0 1. 766 21

122 1. 740 <1

T22 1. 7290 <1

909 991 1. 7074 26

221 1. 6969 20

909 1. 6891 16

1XO^1X 1. 6650 3

T^l JL O -L 1. 6609 3

91^x^9 1. 6366 1

013 1. 5778 5

•^00 1. 5634 1 0^9 1. 5076 6

11^ X XO 1. 5007 12

TlX XO^ 1. 4903 11

230 1. 4792 3 999 1. 4662 5 999 1. 4541 6 oil 1. 4465 10

^11 1 "^9 O X 1 , XOZj 1. 4379 19

T32 1. 4326 17

023 1. 4236 11 041 1. 3732 10

123 1. 3663 <1

123 1. 3589 1

Lattice constants

a h c /3

A A A

1930 Broch [1] . . . . 4. 69 5. 74 4. 96 89. 50°

1962 National Bureau of Standards, 4. 691 5. 720 4. 925 89. 36 at 25 °C

40
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, MONOGRAPH 25, SECTION 1 AND SECTION 2

'

Vol. or

sec. Page

Aluminum, Al 1 11 Aluminum antimony, AlSb 4 72

Aluminum calcium sulfate hydrate (ettringite), Ali03-6CaO-3S03-31H20___-_ 8 3

Aluminum chloride hexahydrate (chloraluminite), AlCls-GHjO 7 3 Aluminum fluosilicate, topaz, AlaSiOi (F,

0H)2 Im 4

Aluminum metaphosphate, A1(P03)3 2m 3 Aluminum orthophosphate (berlinite),

AIPO4 (trigonal) 10 3

Aluminum orthophosphate, AIPO4 (orthorhombic) 10 4

Aluminum oxide, alpha (corundum), Al203__ 9 3

Aluminum oxide monohydrate, alpha (bohmite) A1203-H20 3 ' 38

Aluminum oxide monohydrate, beta (diaspore), A1203-H20 3 41

Ammonium aluminum sulfate dodecahydrate, NH,A1(S04)2-12H20 6 3

Ammonium azide, NH^Ns 9 4

Ammonium bicarbonate (teschemacherite),

(NH4)HC03 9 5

Ammonium bomide, NH4Br 2 49

Ammonium bromoosmate, (NH4)OsBr6 3 71

Ammonium bromoplatinate, (NH4)2PtBr6 9 6

Ammonium bromoselenate, (NH4)2SeBr6 8 4

Ammonium bromotellurate, (NH4)iTeBr6 8 5

Ammonium chloride (sal-ammoniac),

NH4CI 1 59

Ammonium chloroiridate (NH4)2lrCl6 8 6

Ammonium chloroosmate, (NH4)20sCl6 Im 6

Ammonium chloropalladate, (NH4)2PdCl6 8 7 Ammonium chloropalladite, (NH4)2PdCl4 6 6

Ammonium chloroplatinate, (NH4)2PtCl6 5 3

Ammonium chlorostannate (NH4)2SnCl6 5 4

Ammonium chlortellurate, (NH4)2TeCl6 8 8

Ammonium chromium sulfate dodecahydrate, NH4Cr(S04)2-12H20 6 7 Ammonium dihydrogen phosphate,

NH4H2PO, 4 64

Ammonium fluogermanate, (NH4)2GeF6 6 8

Ammonium fluosilicate (cryptohalite),

(NH,)2SiF6 5 5 Ammonium gallium sulfate dodecahydrate,

NH4Ga(S04)2-12H20 6 9

Ammonium iodide, NH4T 4 56

Ammonium iron sulfate dodecahydrate,

NH4re(S04)2l2H20 6 10

Ammonium metavanadate, NH4VO3 8 9

Ammonium nitrate (ammonia-niter),

NH4NO3 7 4

Ammonium oxalate monohydrate (oxammite), (NH4)2C204-H20 7 5 Ammonium perchlorate, NH4CIO4, (orthorhombic) 7 6

Ammonium perrhenate, NH4Re04 9 7 Ammonium phosphomolybdate tetrahydrate, (NH4)3P04(Mo03),2-4H20 8 10

Ammonium sulfate (mascagnite) , (NH4)2S04

(revised) 9 8

Ammonium zirconium fluoride (NH4)3ZrF7__ 6 14

Antimony, Sb 3 14

Antimony (III) fluoride, SbF3 2m 4

Antimony (III) iodide, Sbis 6 16

Antimony (III) oxide (senarmontite), Sb203-_ 3 31

Antimony (III) oxide, valentinite, Sb203 10 6

Antimony (IV) oxide (cervantite), Sb204 10 8

Antimony (V) oxide, Sb205 10 10

Antimony (III) sulfide (stibnite), Sb2S3 5 6

' Further work on this program is in progress, and it is anticipated that

additional sections will be issued. Therefore, the accumulative index here

is not necessarily the concluding index for the project. m—Monograph 25.

sec. Page

Arsenic, As__. 3 6

Arsenic (III) iodide, ASI3 6 17

Arsenic trioxide (arsenolite), AS2O3 1 51

Barium, Ba 4 7

Barium arsenate, Ba3(As04)2 2m 6

Barium carbonate (witherite), BaC03 2 54

Barium carbonate, BaCOs (cubic) 10 11

Barium fluoride, BaF2 1 70

Barium molybdate, BaMo04 7 7 Barium nitrate (nitrobarite), Ba(N03)2 1 81

Barium perchlorate triliydrate, Ba(C104)2-

3H2O 2m 7

Barium peroxide, Ba02 6 18

Barium sulfate (barite), BaS04 3 65

Barium sulfide, BaS 7 8

Barium titanate, BaTi03 3 45

Barium tungstate, BaW04 7 9

Barium zirconate, BaZrOs 5 8

Beryllium aluminum oxide (chrysoberyl),

BeAl204 9 10

Beryllium aluminum silicate (beryl) Be3Alo

(Si03)6 9 13

Beryllium chromium oxide, BeCr204 10 12

Beryllium germanate, Be2Ge04 10 13

Beryllium orthosilicate (phenacite), Be2Si04- 8 11

Beryllium oxide (bromellite), BeO 1 36

Bismuth, Bi 3 20

Bismuth fluoride, BiFs Im 7 Bismuth (III) iodide, Bil3 6 20

Bismuth oxybromide, BiOBr 8 14

Bismuth oxychloride (bismoclite), BiOCl 4 54

Bismuth oxyiodide, BiOI 9 16

Bismuth sulfide (bismuthinite), 61283 4 23

Cadmium, Cd 3 10

Cadmium bromide, CdBr2 9 17

Cadmium carbonate (otavite), CdC03 7 11

Cadmium chloride, CdCl2 9 18

Cadmium cyanide, Cd(CN)2 2m 8

Cadmium molybdate, CdMo04 6 21

Cadmium oxide, CdO 2 27

Cadmium selenide, CdSe, (hexagonal) 7 12

Cadmium sulfide (greenockite), CdS 4 15

Cadmium tungstate, CdWOi 2m 8

tri-Calcium aluminate, 3CaO-Al203 5 10

Calcium aluminate 12:7, 12CaO-7Al203 9 20

Calcium aluminum germanate, CasAlo

(Ge04)3 10 15

Calcium bromide hexahydrate, CaBr2-6H20- 8 15

Calcium carbonate (aragonite), CaCOs 3 53

Calcium carbonate (calcite) CaCOs 2 51

Calcium chromate, CaCr04 7 13

Calcium chromium germanate, CasCri

(Ge04)3 10 16

Calcium chromium silicate (uvarovite),

Ca3Cr2(Si04)3 10 17

Calcium fluoride (fiuorite), CaF2 1 69

Calcium formate, Ca(HC02)2 8 16

Calcium gallium germanate, Ca3Ga2(Ge04)3- 10 18

Calcium hydroxide (portlandite), Ca(0H)2_- 1 58

Calcium iron germanate, Ca3Fe2(Ge04)3 10 19

Calcium iron silicate (andradite),

Ca3Fe2Si30j2 9 22

Calcium molybdate (powellite), CaMo04 6 22

Calcium nitrate, Ca(N03)2 7 14

Calcium oxide, CaO 1 43

Calcium sulfate (anhydrite), CaS04 4 65

Calcium sulfide (oldhamite), CaS 7 15

Calcium tungstate (scheelite), CaW04 6 23

Carbon (diamond), C 2 5 Cerium (III) chloride, CeCl3 Im 8

Cerium (III) fluoride, CeF3 8 17

Cerium magnesium nitrate 24-hvdrate,

Ce2Mg3(N03)i2-24H20 -_ 10 20

41
Vol. or

sec. Page

Cerium (IV) oxide (ceriamite) Ce02 1 56

Cerium (III) vanadate, CeVO^ Im 9

Cesium aluminum sulfate dodecahydrate,

CsAl(S04)£-12H20 6 25

Cesium bromate, CsBrOa 8 18

Cesium bomide, CsBr 3 49

Cesium bromoosmate(IV), Cs20sBr6 2m 10

Cesium bromoplatinate, Cs2PtBr6 8 19

Cesium bromoselenate, Cs2SeBr6 8 20

Cesium bromotellurate, Cs2TeBr6 9 24

Cesium chlorate, CsClOs 8 20

Cesium chloride, CsCl 2 44

Cesium chloroosmate(IV), Cs20sCl6 2m 11 Cesium chloroplatinate, Cs2PtCl6 5 14

Cesium chlorostannate, Cs2SnCl6 5 16

Cesium chromium sulfate dodecahydrate,

CsCr(S04)2-12H20 8 21

Cesium dichloroiodide, CsICl2 3 50

Cesium fluoborate, CsBF, 8 22

Cesium fluogermanate, Cs2GeFe 5 17

Cesium fiuoplatinate, Cs2PtF6 6 27

Cesium fluosilicate, Cs2SiF6 5 19

Cesium gallium sulfate dodecahydrate,

CsGa(S04)2-12H,0 8 23

Cesium iodide, Csl 4 47

Cesium iron sulfate dodecahydrate,

CsFe(S04)2-12H20 6 28

Cesium nitrate, CsNOs 9 25

Cesium perchlorate, CsC104, (orthorhombic). Im 10

Cesium sulfate, CS2SO4 7 17

Cesium vanadium sulfate dodecahydrate,

CsV(S04)2-12H20 Im 11 Chromium, Cr 5 20

Chromium orthophosphate, alpha, CrP04 2m 12

Chromium orthophosphate, beta, CrP04 9 26

Chromium (III) oxide, CraOa 5 22

Chromium silicide, CrsSi 6 29

Cobalt aluminum oxide, C0AI2O4 9 27

Cobalt arsenide (skutterudite), CoAss 10 21

Cobalt (II) carbonate (spherocobaltite)

,

C0CO3 10 24

Cobalt diarsenide, C0AS2 10 26

Cobalt gallate, CoGa204 10 27

Cobalt germanate, Co2Ge04 10 27

Cobalt iron arsenide (safflorite) , CoFeAsi 10 28

Cobalt mercury thiocyanate, Co[Hg(CNS) 4]- 2m 13

Cobalt (II) oxide, CoO 9 28

Cobalt (II, III) oxide, C03O4 9 29

Cobalt sulfate, beta, C0SO4 2m 14

Copper, Cu 1 10

Copper (I) bromide, CuBr 4 36

Copper carbonate, basic, (azurite), Cu3(OH)2

(C03)2 10 30

Copper carbonate, basic, (malachite),

Cu2(OH)2(C03) 10 31

Copper (I) chloride (nantokite), CuCl 4 35

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

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

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

C6pper(II) sulfide (covellite), CuS 4 13

Dysprosium gallium oxide 3:5, Dy3Ga2

(Ga04)3 2m 15

Dysprosium sesquioxide, Dy203 9 30

Erbium gallium oxide 3:5, Er3Ga2(Ga04)3 Im 12

Erbium manganite, ErMnOs 2m 16

Erbium phosphate, ErP04 9 31

Erbium sesquioxide, Er203 8 25

Europium (III) chloride, EUCI3 Im 13

Europium gallium oxide 3:5, Eu3Ga2(Ga04) 3- 2m 17

Europium oxychloride, EuOCl Im 13

Gadolinium fluoride, GdF3 Im 14

Gadolinium gallium oxide 3:5, Gd3Ga2

(GaO,)3 2m 18

Gadolinium oxide, Gd203 Im 16

Gadolinium oxychloride, GdOCl Im 17

Gallium, Ga 2 9

m—Monograph 2.').

Vol . or

sec. Page

Gallium antimonide, GaSb 6 30

Gallium oxide, alpha, Ga203 4 25

Gallium phosphate, (a-quartz type) GaP04- 8 27

Germanium, Ge 1 18

Germanium dioxide, Ge02 (hexagonal) 1 51

Germanium dioxide, Ge02 (tetragonal) 8 28

Germanium (IV) iodide, Geli 5 25

Gold, Au 1 33

Gold antimony 1:2 (aurostibite) , AuSb2 7 18

Gold (I) cyanide, AuCN 10 33

Gold tin 1:1 AuSn 7 19

Hafnium, Hf 3 18

Holmium ethylsulfate nonahydrate,

Ho[(C2H5)S04]3-9H20 Im 18

Holmium sesquioxide, H02O3 9 32

Indium, In 3 12

Indium antimony, InSb 4 73

Indium oxide, In203 5 26

Indium phosphate, InP04 8 29

Iodic acid, HIO3 5 28

Iodine, I2 3 16

Iridium, Ir 4 9

Iron, Alpha, Fe 4 3

Iron arsenide, FeAs Im 19

Iron arsenide (loellingite) , FeAs2 10 34

Iron sulfide (pyrite), FeS2 5 29

Lanthanum borate, LaBOs Im 20

Lanthanum chloride, LaCls Im 21

Lanthanum fluoride, LaF3 7 21

Lanthanum magnesium nitrate 24-hydrate,

La2Mg3(N03)i2-24H20 Im 22

Lanthanum oxide, La203 3 33

Lanthanum oxychloride, LaOCl 7 22

Lead, Pb 1 34

Lead bromide, PbBr2 2 47

Lead carbonate (cerrussite) , PbC03 2 56

Lead chloride (cotunnite), PbCl2 2 45

Lead formate, Pb(HC02)2 8 30

Lead fluochloride (matlockite) PbFCl 1 76

Lead fluoride, alpha, PbF2 5 31

Lead fluoride, beta, PbF2 5 33

Lead (II), iodide, Pblj 5 34

Lead molybdate (wulfenite) , PbMo04 7 23

Lead monoxide (litharge), PbO (red) 2 30

Lead monoxide (massicot) PbO (yellow) 2 32

Lead nitrate, Pb(N03)2 5 36

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

Lead phosphate hydrate (lead hydroxyapatite), Pb5(P04)3C)H 8 33

Lead selenide (clausthalite) , PbSe 5 38

Lead sulfate (anglesite), PbS04 3 67

Lead sulfide (galena), PbS 2 18

Lead titanate, PbTi03 5 39

Lead tungstate (stolzite), PbW04 7 24

Lithium arsenate, Li3As04 2m 19

Lithium bromide, LiBr 4 30

Lithium chloride, LiCl 1 62

Lithium fluoride, LiF 1 61

Lithium iodate, LilOs 7 26

Lithium molybdate, Li2Mo04, (trigonal) Im 23

Lithium oxide, Li20 Im 25

Lithium nitrate, LiN03 7 27

Lithium perchlorate trihydrate, LiC104-3H20 8 34

Lithium trimetaphosphate trihydrate,

Li3P309-3H20 2m 20

Lithium tungstate, Li2W04, (trigonal) Im 25

Lithium tungstate hemihydrate, Li2W04-

K2H2O 2m 20

Lutetium gallium oxide 3 : 5, Lu3Ga2(Ga04)3- 2m 22

Lutetium manganite, LuMnOs 2m 23

Lutetium oxide, LU2O3 Im 27

Magnesium, Mg 1 10

Magnesium aluminate (spinel), MgAl204---- 2 35

Magnesium aluminum silicate (low-cordierite), Mg2Al4SisOi8 (orthorhombic) Im 28

Magnesium aluminum sihcate (high-cordierite), Mg2Al4Si50ifi (hexagonal) Im 29

Magnesium carbonate (magnesite), MgC03- 7 28

42
Magnesium chromite (picrochromite)

,

MgCrsO,

Magnesium fluoride (sellaite), MgF2

Magnesium gallate, MgGa204

Magnesium germanate, Mg2Ge04 (cubic)

Magnesium germanate, Mg2GeOi (orthorhombic)

Magnesium hydroxide (brucite), Mg(0H)2--

Magnesium oxide (periclase), MgO

Magnesium sihcate (enstatite), MgSiOs

Magnesium silicate (forsterite), Mg2Si04

Magnesium silicate fluoride (norbergite)

Mg2SiOrMgF2

Magnesium silicate fluoride (humite),

3Mg2SiO,-MgF2

Magnesium sulfate heptahydrate (epsomite),

MgS04-H20

Magnesium sulfide, MgS

Magnesium tin, Mg2Sn

Magnesium titanate (geikielite), MgTiOs

Magnesium tungstate, MgW04

Manganese aluminate (galaxite), MnAl204--

Manganese(II) carbonate (rhodochrosite),

MnCOs

Manganese ferrite (jacobsite), MnFe204

Manganese (II) oxide (manganosite), MnO_.

Manganese (III) oxide (partridgeite), Mn203_

Manganese selenide, MnSe

Manganese sulfide, alpha (alabandite)

,

MnS

Manganese (II) tungstate (huebnerite)

,

MnW04

Mercury(I) bromide, Hg2Br2

Mercury (I) chloride (calomel), IIg2Cl2

Mercury (II) chloride, HgCl2

Mercury(II) cyanide, Hg(CN)2

Mercury (II) fluoride, HgFi

Mercury (I) iodide, Hgl

Mercury (II) iodide, Hgl2

Mercury (II) oxide (montroydite), HgO

(revised)

Mercury (II) selenide (tiemannite) , HgSe

Mercury (II) sulfide (cinnabar), HgS (hexagonal)

Mercury (II) sulfide (metacinnabar), HgS

(cubic)

Molybdenum, Mo

Molybdenum disulfide (molybdenite), M0S2-

Molybdenum trioxide (molybdite), M0O3

Neodymium borate, NdBOs

Neodymium chloride, NdCls

Neodymium ethylsulfate nonahydrate,

Nd[(C2H5)S04]3-9H20

Neodymium fluoride, NdFa

Neodymium gaUium oxide 3 : 5, Nd3Ga2-

(Ga04)3

Neodymium oxide, Nd203

Neodymium oxychloride, NdOCl

Nickel, Ni

Nickel aluminate, NiAl204

Nickel arsenic 1 : 2 (rammelsbergite) NiAs2-

Nickel arsenic sulfide (gersdorffite) lSriAsS._

Nickel (II) carbonate, NiCOs (trigonal)

Nickel ferrite (trevorite), NiFe204

Nickel fluosilicate hexahydrate, NiSiF6-62HO_

Nickel gallate, NiGa204

Nickel germanate, Ni2Ge04

Nickel (II) oxide (bunsenite), NiO

Nickel sulfate, NiSO,

Nickel sulfate hexahydrate, NiS04-6H20

Nickel sulfide, millerite, NiS

Nickel Tungstate, NiW04

Niobium silicide, NbSi2

Osmium, Os

Palladium, Pd

Palladium oxide, PdO

m—Monograph 25.

Vol. or Vol. or

sec. Page sec. Page

Platinum, Pt - 1 31

9 34 Potassium aluminum sulfate dodecahydrate.

4 33 KAl(S04)2-12H20-_. 6 36

10 36 Potassium borohydride, KBH4 9 44

10 37 Potassium bromate, KBrOs 7 38

Potassium bromide, KBr 1 66

10 38 Potassium bromoplatinate, K^PtBre - _ 8 40

6 30 Potassium bromoselenate, K2SeBr6 - - 8 41

1 37 Potassium chloride (sylvite), KCL _ 1 65

6 32 Potassium ehloroplatinate, K2PtCl6 5 49

1 83 Potassium chlororhenate, K2ReCl6 2m 28

Potassium chlororuthenate (IV), K2RuCl6-_ 10 46

10 39 Potassium chlorostannate K2SnCl6 - Potassium chromium sulfate dodecahydrate.

6 38

Im 30 KCr (804)2-121120 - -- 6 39

Potassium cobaltinitrite, K3Co(N02)6 9 45

7 30 Potassium cyanate, KCNO 7 39

7 31 Potassium cyanide, KCN 1 77

5 41 Potassium dihydrogen arsenate, KII2ASO4-- Im 38

5 43 Potassium dihydrogen phosphate, KH2P04-_ 3 69

1 84 Potassium fluogermanate, K2GeF6 6 41

9 35 Potassium fluoplatinate, K2PtF6 6 42

Potassium fluoride, KF 1 64

7 32 Potassium fluosilicate (hieratite), K2SiF6 5 50

9 36 Potassium fluotitanate, K2TiF6 - . _ 7 40

5 45 Potassium heptafluozirconate, KsZrF? 9 46

9 37 Potassium hydroxy - chlororuthenate,

10 41 K4Ru2ClioO-H20 - _ - . 10 47

Potassium iodide, KI 1 68

4 11 Potassium metaperiodate, KIO4 7 41

Potassium nitrate (niter), KNO3 3 58

2m 24 Potassium nitroso chlororuthenate, KjRuCla7 33 NO- - - . 2m 29

1 72 Potassium perchlorate, KCIO4 6 43

1 73 Potassium permanganate, KMn04 7 42

6 35 Potassium perrhenate, KRe04 8 41

2m 25 Potassium phosphomolybdate, tetrahydrate.

4 49 K2P04(Mo03)i2-4H20 8 43

1 74 Potassium sulfate (arcanite), K2SO4 - 3 62

Potassium thiocyanate, KCNS 8 44

9 39 Potassium zinc fluoride, KZnFs 5 51

7 35 Praseodymium chloride, PrCl3 Im 39

Praseodymium fluoride, PrF3 5 52

4 17 Praseodymium oxychloride, PrOCl 9 47

Rhenium, Re 2 13

4 21 Rhodium, Rh _ _ _ 3 9

1 20 Rubidium aluminum sulfate dodecahydrate.

5 47 RbAl(S04)2-12H20 . 6 44

3 30 Rubidium bromate, RbBrOs 8 45

Im 32 Rubidium bromide, RbBr . _ 7 43

Im 33 Rubidium bromotellurate, Rb2TeBr6

Rubidium chlorate, RbC103

0000 46

47

9 41 Rubidium chloride, RbCl 4 41

8 36 Rubidium ehloroplatinate, RbiPtCle 5 53

Rubidium chlorostannate, Rb2SnCl6 6 46

Im 34 Rubidium chlorotellurate, Rb2TeCl6 8 48

4 26 Rubidium chromium sulfate dodecahydrate.

8 37 RbCr(S04)2-12H20

Rubidium fluoplatinate, RboPtFj

6 47

1 13 6 48

9 42 Rubidium fluosilicate, Rb2SiF6 6 49

10 42 Rubidium iodide, Rbl 4 43

Im 35 Rubidium perchlorate, RbC104 2m 30

Im 36 Rubidium periodate, RbI04 2m 31

10 44 Rubidium sulfate, Rb2S04 8 48

8 38 Ruthenium, Ru _ 4 5 10 45 Samarium chloride, SmCls _ _ Im 40

9 43 Samarium fluoride, SmFs __ - Im 41

1 47 Samarium gallium oxide 3:5, Sm3Ga2(Ga04)3- Im 42

2m 26 Samarium oxychloride, SmOCl . _ _ Im 43

7 36 Scandium oxide, SC2O3

Scandmm phosphate, bcP04

3 27

Im 37 8 50

27 >i t~\ 1 r\Tr\ 111 TV** Si /~v 5 0^'i4 8 39 Selenium dioxide (selenolite) , Se02 - 1 53

4 8

21

27

2 6

14

SilipiTTi rliriYiHp (QlTiVifi c\i* Inw mifirl". 7; i i^iOfi I^^Xiii^UXl ^J.i'JAlU.C; \iXLyjvi,CAi KJL 1 \J VV U HcLJL KjZj J j KJL\-/2 — ~ 3 24

Silicon dioxide (alpha or low cristobalite),

Si02 (Revised) 10 48

43
Vol. or

sec. Page

Silicon dioxide (beta or high crisobalite)

,

SiO, 1 42

Silver, Ag 1 23

Silver arsenate, AgsAsOi 5 56

Silver bromate, AgBrOs 5 57

Silver bromide (bromyrite), AgBr 4 46

Silver carbonate Ag2C03 Im 44

Silver chlorate, AgClOa 7 44

Silver chloride (cerargyrite), AgCl 4 44

Silver iodide (iodyrite), Agl (hexagonal) 8 51

Silver iodide, gamma, AgT (cubic) 9 48

Silver metaperiodate, AgI04 9 49

Silver molybdate, AgoMoO, 7 45

Silver nitrate, AgNOs 5 59

Silver nitrite, AgNOj 5 60

Silver oxide, Ag20 Im 45

Silver (II) oxynitrate, AgrOgNOa 4 61

Silver perrhenate, AgRe04 8 53

Silver phosphate, AgsPOi 5 62

Silver selenate, Ag2SeO( 2m 32

Silver sulfate, AgsSO, 7 46

Silver sulfide (argentite), AgaS 10 51

Sodium acid fluoride, NaHFa 5 63

Sodium borohydride, NaBIl4 9 51

Sodium bromate, NaBrOs 5 65

Sodium bromide, NaBr 3 47

Sodium carbonate monohydrate (thermonatrite), NazCOs-HzO 8 54

Sodium chlorate, NaClOs 3 51

Sodium chloride (halite), NaCl 2 41

Sodium cyanate, NaCNO 2m 33

Sodium cyanide, NaCN (cubic) 1 78

Sodium cyanide, NaCN (orthorhombic) 1 79

Sodium fluoride (villiaumite), NaF 1 63

Sodium iodate, NalOs 7 47

Sodium iodide, Nal 4 31

Sodium metaperiodate, NalOi 7 48

Sodium molybdate, Na2Mo04 Im 46

Sodium nitrate (soda-niter), NaNOs 6 50

Sodium nitrite, NaNOs 4 62

Sodium orthotungstate (VI) dihydrate,

Na,W04-2H20 2m 33

Sodium perchlorate, NaC104 (orthorhombic) _ 7 49

Sodium sulfate (thenardite), Na2S04 2 59

Sodium sulfite, Na.SOs 3 60

Sodium tetrametaphosphate tetrahydrate,

alpha, Na4P40i2-4H20 (monoclinic) 10 52

Sodium tetrametaphosphate tetrahydrate,

beta, Na4P40i2-4H20 (trichnic; 2m 35

Sodium tungstate, Na2W04 Im 47

Strontium arsenate, Sr3(As04)2 2m 36

Strontium bromide hexahydrate, SrBr2-6H20_ 4 60

Strontium carbonate (strontianite) SrCOs 3 56

Strontium chloride, SrClz 4 40

Strontium chloride hexahydrate, SrCl2-6H20_ 4 58

Strontium fluoride, SrF2 5 67

Strontium formate, Sr(CH02)2 8 55

Strontium formate dihydrate, Sr(CH02)2-

2H2O orthorhombic 8 56

Strontium iodide hexahydrate, Srl2 -61120 8 58

Strontium molybdate, SrMo04 7 50

Strontium nitrate, Sr(N03)2 1 80

Strontium oxide, SrO 5 68

Strontium peroxide, Sr02 6 52

Strontium sulfate (celestite), SrS04 2 61

Strontium sulfide, SrS 7 52

Strontium titanate, SrTiOa 3 44

Strontium tungstate, SrW04 7 53

Strontium zirconate, SrZrOs 9 51

Sulfamic acid, NH3SO3 7 54

Sulfur, S 9 54

Tantalum, Ta 1 29

Tantalum SiHcide, TaSi2 8 59

Tellurium, Te 1 26

Tellurium (IV) oxide (paratellurite) Te02

(tetragonal) 7 56

m—Monograph 25.

Vol. or

sec. Page

Tellurium (IV) oxide, paratellurite, Te02 10 55

Tellurium (IV) oxide (tellurite), TeOo (orthorhombic) 9 57

Thallium aluminum sulfate dodecahydrate,

T1A1(S0,)2-12H20 6 53

Thallium (I) arsenate, TI3ASO4 2m 37

Thallium(I) bromate, TlBr03 8 60

Thallium bromide, TlBr 7 57

Thallium (I) chlorate, TICIO3 8 61

Thallium(I) chloride, TlCl 4 51

Thallium chloroplatinate, Tl2PtCl6 5 70

Thallium chlorostannate, Tl2SnCl6 6 54

Thallium chromium sulfate dodecahydrate,

TlCr(S04)2-12H20 6 55

ThaUium fluosilicate, TLSiFg 6 56

Thallium gallium sulfate dodecahydrate,

TlGa(S04)2-12H20 6 57

Thallium (I) iodate, TIIO3 8 62

Thallium (I) iodide, Til, (orthorhombic) 4 53

Thallium(I) nitrate, TINO3 6 58

Thallium(III) oxide, TI2O3 2 28

Thallium (I) perchlorate, TlClOj 2m 38

Thallium (I) phosphate, TI3PO4 7 58

Thallium(III) phosphate, TlPO, 7 59

Thallium (I) sulfate, TI2SO4 6 59

Thallium(I) thiocyanate, TICNS 8 63

Thallium (I) tungstate, TI2WO4 Im 48

Thorium oxide (thorianite), Th02 1 57

Thulium sesquioxide, Tm203 9 58

Tin, alpha, Sn (cubic) 2 12

Tin, beta, Sn (tetragonal) 1 24

Tin(IV) iodide, SnL 5 71

Tin (II) oxide, SnO 4 28

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

Tin (II) telluride, SnTe 7 61

Titanium, Ti 3 1 Titanium dioxide (anatase), TiOj 1 46

Titanium dioxide (rutile), TiO. 1 44

Titanium(III) oxide, TiOi.515 9 59

Titanium silicide, TisSis 8 64

Tungsten, W 1 28

Tungsten sulfide (tungstenite) , WS2 8 65

Uranium dioxide, tJ02 2 33

Urea, CO(NH2)2 7 61

Vanadium (V) oxide, V2O5 8 66

Ytterbium gallium oxide3 : 5, Yb3Ga2(Ga04) 3 Im 49

Yttrium arsenate, YASO4 2m 39

Yttrium gallium oxide 3:5, Y3Ga2(GaO 4) 3 Im 50

Yttrium, oxide, Y2O3 3 28

Yttrium oxychloride, YOGI Im 51

Yttrium phosphate (xenotime), YPO4 8 67

Zinc, Zn 1 16

Zinc aluminate (gahnite), ZnAl204 2 38

Zinc borate, ZnB204 1 83

Zinc carbonate (smithsonite), ZnCOs 8 69

Zinc cyanide Zn(CN)2 5 73

Zinc, fluoride, ZnF2 6 60

Zinc fluosilicate hexahydrate, ZnSiFe -61120- 8 70

Zinc germanate, Zn2Ge04 10 56

Zinc iodide, Znl2 9 60

Zinc orthosilicate (willemite), Zn2Si04 7 62

Zinc oxide (zincite), ZnO 2 25

Zinc pyrosilicate hydi-ate (hemimorphite)

Zn4(OH)2Si207-H20 2 62

Zinc selenide, ZnSe 3 23

Zinc sulfate (zinkosite), ZnS04 7 64

Zinc sulfate heptahydrate (goslarite),

ZnS04-7H20 8 71

Zinc sulfide, alpha (wurtzite), ZnS 2 14

Zinc sulfide, beta (sphalerite), ZnS 2 16

Zinc tungstate, ZnWO, 2m 40

Zirconium, alpha, Zr 2 11

Zirconium iodate, Zr(I03)4 Im 51

Zirconium silicate (zircon), ZrSi04 4 68

Zirconium sulfate tetralivdrate, Zr(S04)2-

4H2O 1 7 66

44
MINERAL INDEX

Vol. or sec. Page

Alabandite MnS 4 11

Ammonia-niter, NH4NO3 7 4

Anatase, TiOz 1 46

Andradite, CasFeaSiaOjs 9 22

Anglesite, PbS04 3 67

Anhydrite, CaSO^ 4 65

Aragonite, CaCOs 3 53

Argentite, Ag2S 10 51

Ai'canite, K2SO4 3 62

Arsenolite, AS2O3 1 51

Am-ostibite, AuSb2 7 IS

Azurite, Cu3(OH)2 (003)2 10 30

Barite, BaSOi 3 65

Berlinite, AIPO4 10 3

Beryl, Be3Al2 (Si03)6 9 13

Bismoclite, BiOCl 4 54

Bismuthinite, Bi2S3 4 23

Bohmite, A1203-H20 3 38

Bromellite, BeO 1 36

Bromyrite, AgBr 4 46

Brucite, Mg(0H)2 6 30

Bunsenite, NiO 1 47

Oalcite, OaOO, 2 51

Oalomel, Hg20l2 1 72

Oassiterite, Sn02 1 54

Oelestite, SrS04 2 61

Oerargyrite, AgOl 4 44

Oerianite, Oe02 1 56

Cerrussite, PbOOs 2 56

Oervantite, Sb204 10 8

Chloralmninite, A101r6H.0 7 3

Ohrysoberyl, BeAl204 9 10

Oinnabar, HgS 4 17

Olausthalite, PbSe 5 38

Oordierite , Mg2Al4Si50i «

( o r t h o - rhombic) Im 28

Oordierite, Mg2Al4Si50i8- (hexagonal). Im 29

Corundum, AI9O3 9 3

Ootunnite, PbCl2 2 45

Covellite, OuS 4 13

Oristobalite, (alpha or low) Si02

(Revised) 10 48

Oristobalite, (beta or high) Si02 1 42

Oryptohalite, (NH4)2SiF6 5 5

Ouprite, OU2O 2 23

Diamond, O 2 5

Diaspore, A1203-H20 3 41

Enstatite, MgSiOa 6 32

Epsomite, MgS04-H20 7 30

Ettringite, AlzOs-eOaO-SSOs-SlHzO- 8 3

Fluorite, OaFs 1 69

Forsterite, Mg2Si04 1 83

Galaxite, MnAl204 9 35

Galena, PbS . 2 18

Vol. or sec. Page

Gahnite, ZnAl204 2 38

Geikielite, MgTiOs 5 43

Gersdorffite, NiAsS Im 35

Goslarite, ZnS04-7H20 8 71

Greenockite, CdS 4 15

Halite, NaOl 2 41

Hemimorphite. Zn4(OH)2Si207-H20_ 2 62

Hieratite, KaSiF,^ 5 50

Huebnerite, MnW04 2m 24

Humite, 3Mg2Si04-MgF2 Im 30

lodvrite, Agl (hexagonal) 8 51

Jacobsite, MnFeo04 9 36

Litharge, PbO (red) 2 30

Loellingite, FeAs, 10 34

Magnesite, MgOO^ 7 28

Malachite, Ou2 (OH) 2(063) 10 31

Manganosite, MnO 5 45

Marshite, Oul 4 38

Mascagnite, (NH4)2S04 9 8

Massicot, PbO (yellow) 2 32

Matlockite, PbFOl 1 76

Metacinnabar, HgS (cubic) 4 21

MUlerite, NiS Im 37

Minium, PbgOi 8 32

Molybdenite, M0S2 5 47

Molybdite, M0O3 3 30

Montroydite, HgO 9 39

Nantokite, OuOl 4 35

Niter, KNO3 3 58

Nitrobarite, Ba(N03)2 1 81

Norbergite, Mg2Si04-MgF2 10 39

Oldhamite, OaS 7 15

Otavite, CdOO, 7 11

Oxammite, (NH4)20204-H20 7 5

Paratellurite, Te02 (natural mineral) 10 55

Paratellurite, TeOg 7 56

Partridgeite, Mn203 9 37

Periclase, MgO 1 37

Phenacite, Be2Si04 8 11

Picrochromite, MgOr204 9 34

Portlandite, Oa(OH)2 1 58

Powellite, OaMo04 6 22

PjTite, FeS2 5 29

Quartz, Si02 (alpha or low) 3 24

Rammelsbergite, NiAs2 10 42

Rhodochrosite, MnOOs 7 32

Rutile, TiOz 1 44

Safflorite, OoFeAs4 10 28

Sal-ammoniac. NH4OI 1 59

Scheelite, OaW04 6 23

Selenolite, Se02 1 53

Sellaite, MgF2 4 33

Senarmontite, Sb203 3 31

Skutterudite, CoAsa 10 21
Vol. or sec. Smithsonite, ZnCOs 8

Soda-niter, NaNOs 6

Sphalerite, ZnS 2

Spherocobaltite, C0CO3 10

Spinel, MgAl204 2

Stibnite, Sb2S3 5

Stolzite, PbW04 7

Strontianite, SrCOs 3

Sylvite, KCl 1 Tellurite, TeOa (orthorhombic) 9

Tenorite, CuO 1 Teschemacherite, (NH4)HC03 9

Thenardite, Na2S04 2

Thermonatrite, NazCOj-HaO 8

Thorianite, ThOz 1

Page Vol. or sec. Page

69 Tiemannite, HgSe 7 35

50 Topaz, Al2Si04(F,OH)2 Im 4

16 Trevorite, NiFcaOi 10 44

24 Tungstenite, WS2 8 65

35 Uvarovite, Ca3Cr2(Si04)3 10 17

6 Valentinite, Sb203 10 6

24 Villiaumite, NaF 1 63

56 Willemite, Zn2Si04 7 62

65 Witherite, BaCOs 2 54

57 Wulfenite, PbMo04 7 23

49 Wurtzite, ZnS 2 14

5 Xenotime, YPO4 8 67

59 Zincite, ZnO 2 25

54 Zinkosite, ZnS04 7 64

57 Zircon, ZrSiOi 4 68

O

46


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