NBS MONOGRAPH 25—SECTION 4

Standard X-ray Diffraction

Powder Patterns

U.S. DEPARTMENT OF COMMERCE

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UNITED STATES DEPARTMENT OF COMMERCE • John T. Connor, Secretary

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

Standard X-ray Diffraction

Powder Patterns

Howard E. Swanson, Marlene C. Morris, and Eloise H. Evans

National Bureau of Standards Monograph 25 — Section 4

Issued June 28, 1966

For sale by the Superintendent of Documents, U.S. Government Printing Office Washington, D.C., 20402 - Price 55 cents
Library of Congress Catalog Card No. 53-61386
Contents

Page

Introduction - 1 Cell determination for internal standards 3

Standard x-ray powder patterns:

*Barium Boron Oxide, high form, BaB204

(trigonal) 4

Barium Boron Oxide, BaB407 (monoclinic) 6

Barium Fluosilicate, BaSiFe (trigonal) 7 *Cerium Arsenate, CeAsOi (monoclinic) 8

* Cesium Fluoantimonate, CsSbFg (trigonal)

*Cobalt, Co (cubic) 10

Cobalt Diarsenide, CoAsa (monoclinic) (revised) 10

*Cobalt Silicate, Co2Si04 (orthorhombic) 11 Cobalt Titanate, CoTiOs (trigonal) 13

*Cobalt Tungstate, C0WO4 (monoclinic) 13

*Dysprosium Vanadate, DyV04 (tetragonal) _ _ 15

*Europium(III) Vanadate, EUVO4 (tetragonal) 16

* Gadolinium Arsenate, GdAs04 (tetragonal) _ _ 17

*Holmium Vanadate, H0VO4 (tetragonal) 18

Iridium Dioxide, Ir02 (tetragonal) 19

*Lead Boron Oxide, PbB407 (orthorhombic)— 19

Lithium Phosphate, low form, (lithiophosphate),** Li3P04 (orthorhombic) (revised) 21

Lithium Sulfate Monohydrate, Li2S04-H20

(monoclinic) 22

Magnesium Aluminum Silicate (pyrope),

MgsAU(8104)3 (cubic) 24

Magnesium Boron Oxide, Mg2B205 (triclinic).. 25

*Metaboric Acid, HBO2 (cubic) 27

*Neodymium Arsenate, NdAs04 (monoclinic). 28

Neodymium Vanadate, NdV04 (tetragonal) 30

Potassium Acid Phthalate,

C6H4(COOH) (COOK) (orthorhombic) 30

Praseodymium Arsenate, PrAs04 (monoclinic) 32

Samarium Arsenate, SmAs04 (tetragonal) 33

Samarium Oxide, Sm203 (cubic) 34

Scandium Arsenate, ScAs04 (tetragonal) 35

Strontium Boron Oxide, SrB407 (orthorhombic) 36

Tin Arsenide, SnAs (cubic) 37

Ytterbium Arsenate, YbAs04 (tetragonal) 38

Zinc Antimony Oxide, ZnSb204 (tetragonal) 39

Calculated powder patterns:

Antimony Cerium, CeSb 40

Antimony Dysprosium, DySb 41

Antimony Erbium, ErSb 41

Antimony Gadolinium, GdSb 42

Antimony Lanthanum, LaSb 42

Antimony Neodymium, NdSb 43

Antimony Praseodymium, PrSb 43

Antimony Scandium, SbSc 44

Antimony Thorium, SbTh 44

Antimony Thulium, SbTm 45

Antimony Ytterbium, SbYb 45

Antimony Yttrium, SbY 46

Bismuth Cerium, BiCe 46

Bismuth Dysprosium, BiDy 47

*Not previously listed in Powder Diffraction File. **Mlneral name in parentheses indicates a synthetics sample.

Page

Bismuth Erbium, BiEr 47

Bismuth Holmium, BiHo 48

Bismuth Lanthanum, BiLa 48

Bismuth Neodymium, BiNd 49

Bismuth Praseodymium, BiPr 49

Bismuth Telluride, BiTe 50

Calcium Telluride, CaTe 50

Cerium Arsenide, CeAs 51

Cerium Nitride, CeN 51

Cerium Phosphide, CeP 52

Cobalt Iodide, C0I2 52

Dysprosium Arsenide, DyAs 53

Dysprosium Nitride, DyN 53

Dysprosium Telluride, DyTe 54

Erbium Arsenide, ErAs 54

Erbium Nitride, ErN 55

Erbium Telluride, ErTe 55

Europium Nitride, EuN 56

Europium Oxide, EuO 56

Gadolinium Arsenide, GdAs 57

Gadolinium Nitride, GdN 57

Germanium Iodide, Gela 58

Holmium Nitride, HoN 58

Holmium Selenide, HoSe 59

Iron Bromide, FeBr2 59

Iron Iodide, Feh 60

Lanthanum Arsenide, LaAs 60

Lanthanum Nitride, LaN 61

Lanthanum Selenide, LaSe 61

Lutetium Nitride, LuN 62

Magnesium Bromide, MgBr2 62

Manganese Bromide, MnBr2 63

Manganese Iodide, Mnl2 63

Neodymium Arsenide, NdAs 64

Neptunium Nitride, NpN 64

Plutonium Arsenide, PuAs 65

Plutonium Phosphide, PuP 65

Plutonium Telluride, PuTe 66

Potassium Hydroxide, KOH at 300 °C 66

Praseodymium Arsenide, PrAs 67

Praseodymium Sulfide, PrS 67

Samarium Arsenide, SmAs 68

Scandium Arsenide, ScAs 68

Sodium Hydroxide, NaOH at 300 °C 69

Strontium Telluride, SrTe 69

Terbium Nitride, TbN 70

Thorium Arsenide, ThAs 70

Thuhum Arsenide, TmAs 71

Thulium Nitride, TmN 71

Thulium Telluride, TmTe 72

Titanium Sulfide, TiSz 72

Uranium Telluride, UTe 73

Ytterbium Arsenide, YbAs 73

Ytterbium Nitride, YbN 74

Yttrium Arsenide, YAs 74

Yttrium Telluride, YTe 75

Zirconium Phosphide, ZrP 75

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

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

Sections I, 2, 3, and 4 77

Cumulative mineral index 82

iii
Errata

Monograph 25, Section 4

Circular 539

Vol. 3, p. 33; The space group should be Did-P3ml.

Vol. 4, p. 26; The space group should be Did-P3ml.

Vol. 6, p. 3; The space group should be Tg-Pa3.

p. 35; The space group should be DJ5-I42d.

Monograph 25

Sec. 1, p. 2; In the left-hand column, the sentence beginning in the seventh

line from the bottom should read: "Factors for converting integrated

intensities to peak height intensities are on the left side of the chart.

Sec. 3, p. 7; The d-spacing 1.568 should be 1.537.

p. 5; hkl 341 should be 203.

p. 16; The rf-spacing 2.113 should be 2.013.

p. 49; In the text for NBS sample, the first sentence should be corrected to read: ". . . by heating sodium trimetaphosphate sesquihydrate above the

melting ..."

p. 51; The NBS value for 0 for SnFj should be 109° 6.5' ±0.3'.

Standard X-ray Diffraction Powder Patterns

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

Government Printing Office, Washington, D.C., 20402, as follows:

NBS Circular 539, Volume 1, Standard X-ray Dififraction Powder Patterns (Data for 54 inorganic substances) 45

cents NBS Circular 539, Volume 2, Standard X-ray Dififraction Powder Patterns (Data for 30 inorganic substances) 45

cents NBS Circular 539, Volume 3, Standard X-ray Diffraction Powder Patterns (Data for 34 inorganic substances) 45

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cents NBS Circular 539, Volume 5, Standard X-ray Diffraction Powder Patterns (Data for 45 inorganic substances) 45

cents NBS Circular 539, Volume 6, Standard X-ray Dififraction Powder Patterns (Data for 44 inorganic substances) 40

cents NBS Circular 539, Volume 7, Standard X-ray Diffraction Powder Patterns (Data for 53 substances) 40 cents NBS Circular 539, Volume 8, Standard X-ray Dififraction Powder Patterns (Data for 61 substances) 45 cents NBS Circular 539, Volume 9, Standard X-ray Dififraction Powder Patterns (Data for 43 substances) 40 cents NBS Circular 539, Volume 10, Standard X-ray Dififraction Powder Patterns (Data for 40 substances) 40 cents NBS Monograph 25, Section 1, Standard X-ray Dififraction Powder Patterns (Data for 46 substances) 40 cents NBS Monograph 25, Section 2, Standard X-ray Diffraction Powder Patterns (Data for 37 substances) 35 cents NBS Monograph 25, Section 3, Standard X-ray Diffraction Powder Patterns (Data for 51 substances) 40 cents Send orders with remittance to Superintendent of Documents, U.S. Government Printing Office, Washington,

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Those wishing to be notified of future issues should send mailing address to the Government Printing Office.

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 4—Data for 103 Substances

Howard E. Swanson, Marlene Cook Morris/ and Eloise H. Evans ^

Standard x-ray diffraction powder data are presented for 103 substances. Thirty-two

of these patterns represent experimental data and 71 are calculated. Ten experimental

patterns replace eleven cards already in the X-ray Powder Diffraction File published by

the American Society for Testing and Materials; twenty-two experimental patterns and

seventy-one calculated patterns are for substances not previously included in the File. The

experimental x-ray powder diffraction patterns were made with a Geiger counter x-ray

diffractometer, using samples of high purity. All d-values were assigned Miller indices

determined by comparison with theoretical interplanar spacings and from space group

extinctions. The densities and lattice constants were calculated, and the refractive indices were measured whenever possible. The calculated x-ray powder diffraction pa|.terns were

obtained from single crystal structure data. The reported peak height intensities for

calculated patterns were converted from integrated intensities. Accurate cell determination measurements for the internal standards were obtained by

using a flat-plate back reflection focusing camera. Key Words: standard, x-ray, diffraction, powder, patterns, crystal, structure, measurements, lattice, constants

INTRODUCTION

The X-ray Powder Diffraction File [1] ^ 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 National

Bureau of Standards in its program ^ for the

revision and evaluation of pubhshed x-ray data

for the X-ray Powder Diffraction File presents

data in this report for 103 compounds. This

compilation is the fourteenth of a series of

"Standard X-ray Diffraction Powder Patterns." * The designation "Circular 539" used for the first

ten volumes has been discontinued in favor of the

series, "Monograph 25." This compilation is the

fourth section of the series Monograph 25. Included are patterns recommended to replace data on 11 cards now present in the File. The other

patterns are for 93 compounds not included in the

File. In this group of compounds, 22 patterns are experimental and 71 are calculated.

Experimental Powder Patterns

Powder data cards. Under this heading are given the Powder Diffraction File Card numbers

and the literature reference for each card. Cards

listed through the 1964 index to the Powder

Diffraction File are included in the table.

1 Research Associate at the National Bureau of Standards sponsored by

the Joint Committee on Chemical Analysis by Powder Diffraction Methods.

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

section of this pai)er.

^ This project is sponsored by the Joint Committee on Chemical 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.

* other volumes were pubUshed as follows: Circular 539 Vol. 1 and Vol. 2, June 1953; Vol. 3, June 1954; Vol. 4, March 1955; Vol. 5, October 1955; Vol. 6, September 1956; Vol. 7, September 1957; Vol. 8, April 1959; Vol. 9, February

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

2, May 1963; and Section 3, July 1964.

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

as Powder Diffraction 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.

Unless otherwise noted, the spectrographic analyses were done at NBS after preparation of the

sample was completed. The limit of detection

for the alkali elements was 0.05 percent for the

spectrographic analyses. A microscopic inspection for phase purity was made on the nonopaque

materials during 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 (^-values.

Treating the sample by appropriate annealing,

recrystallization, or heating in hydrothermal

bombs improved the definition of most of the patterns. The refractive index measurements were

made by grain-immersion methods in white light,

using oils standardized in sodium light, and cover- ing the range 1.40 to 2.00.

Structural data. For cubic materials a value

for the lattice constant was calculated for each

rf-value. However, the constant reported is that

obtained by averaging the constants for the last

five lines because of me greater accuracy of calculation in the large-angle region of the pattern.

The unit cell values for noncubic substances were

determined by means of a least-squares calculation made on the IBM 7094, using those rf-values

for which only one set of MUler indices could be

assigned. The number of significant figures re- ported for the c^-values in the NBS patterns varies

slightly with the symmetry and crystallinity of

each sample. A portion of the indexing and cell

1
refinement calculation was performed on a Burroughs B 220 computer at the United States

Geological Survey using a program developed by

H. T. Evans, Jr., D. E. Appleman, and D. Handwerker [2]. Lattice constant errors are given only

for data refined on that program and are based on

least squares refinement of the variance-covariance

matrix derived from the unweighted residuals.

Published unit cell data in kX units and data

given in angstrom units prior to 1947 were con- verted to angstrom units using the factor 1.00202

as recommended by an international conference

of crystal! ographers [3]. The space groups are listed with both the

Schoenflies and short Hermann-Mauguin symbols

as well as the space group numbers given in the

International Tables for X-ray Crystallography [4]. Orthorhombic ceU dimensions are presented ac- cording to the Dana convention 6>a>c [5]. The densities calculated from the NBS lattice

constants are expressed in grams per cubic centimeter and are computed with atomic weights

based on carbon 12 [6], and the Avogadro number

(6.02252X1023).

Intensity measurements. At least three patterns for intensity measurements were prepared to

check reproducibility. Samples that gave satisfactory intensity patterns usually had an average

particle-size smaller than 10 m [7]. In order to

avoid the orientation effects which occur when

samples are packed or pressed, a sample holder

was made that had an extended rectangular

cavity opened on its top face and at the end. To

prepare the sample, a glass slide was clamped over

the top face to form a temporary cavity wall (see

fig. 1). The powdered sample was then drifted

into the remaining end opening while the holder

was held in a vertical position. With the sample

holder returned to a horizontal position, the glass

slide was carefully removed so that the sample

surface could be exposed to the x-ray beam (as

shown in fig. 2). To powders that did not flow

readily, or were prone to orient excessively, approximately 50 volume percent of finely ground

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.

Interplanar spacings. Specimens for the interplanar spacing 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 f^ ind to interfere, 25 percent sUver was

used in place of timgsten. If the internal standard correction varied along the length of the

pattern, linear interpolations were used for the

regions between the peaks of the standard. For

low values of 26, the pattern peak was measured

in the center, at a place averaging about 75 percent of the peak height. For higher values of 29,

where the ai and a2 peaks were separated, the ai

peak was measured in the same way. The internal standard correction appropriate to each

region was then applied to the measurement of

26. The internal standard lattice constants used

were 3.1648 a for tungsten and 4.0861 a for silver

at 25 °C, as determined by Jette and Foote [8]. AU of the NBS patterns, unless otherwise noted,

are made at 25 °C using either filtered copper or cobalt radiation (Kai), having the wavelengths

1.5405 A, and 1.7889 a, respectively.
Calculated Powder Patterns

Some substances are not readily available for

experimental powder measurements. Therefore,

patterns were calculated from single crystal

structure data, using a FORTRAN program

developed by Smith [9]. Scattering factors were obtained from The International Tables [10].

Intensity calculations were based upon copper

wavelength, 1.5405 a. The integrated intensities

were converted to peak height values by means of a graph [11]. Data with peak height intensities

less than 0.1 were omitted. Peak height intensities from 0.1 to 0.9 were recorded as <;i. Those

intensities with c^-values close enough to be unresolved were summed.

No temperature corrections were included.

Literature references are compiled at the end of

the section of calculated patterns.

The authors are indebted to H. F. McMurdie

for measurement of indices of refraction and for

his continuous interest and supervision in this

work, to J. H. deGroot for the preparation of many

of the samples used, and to S. J. Carmel for his

assistance on the work using the back reflection camera.

References

[I] Index to the X-ray Powder DifiFraction File, (1964)

American Society for Testing and Materials, 1916

Race Street, Philadelphia, Pa. 19103.

[2] H. T. Evans, D. E. Appleman, and D. S. Handwerker.

The least-squares refinement of crystal unit cells with powder diffraction data by an automatic computer indexing method, (abs.) Am. Crystal. Assoc. Annual Meeting, Cambridge, Mass. Program 42-

43, March (1963).

[3] The conversion factor for kX units to angstrom units,

J. Sci. Instr. 24, 27 (1947).

[4] International Tables for X-ray Crystallography, I

(1952).

[5] Dana's System of Mineralogy, 1, 6 (John Wiley & Sons,

New York, 7th ed., 1944).

[6] International Union of Pure and Applied Chemistry,

Chem. Eng. News, Nov. 20, 43 (1961).

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

factors afifecting the intensity of X-rays diffracted by

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

753 (1948).

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

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

[9] D. K. Smith, A FORTRAN program for calculating

X-ray powder diffraction patterns, UCRL-7196

(1963) University of California, Lawrence Radiation

Laboratory, Livermore, Calif.

[10] International Tables for X-ray Crystallography, III 202 (1962).

[II] H. E. Swanson, M. C. Morris, R. P. Stinchfield, and

E. H. Evans, Standard X-ray Diffraction Powder

Patterns, Natl. Bur. Std. Monograph 25, Sec. 1, 3

(1962).

Cell Determination for Internal Standards

In the search for new sources of supply for

sUver and tungsten which we have used to refer- ence 2B measurements, we became interested in

obtaining lattice values of the various samples of

high purity sUver and tungsten. The ceU values

for these internal standards, adopted by this

laboratory in 1950, will be changed after this

issue from 3.1648 to 3.16504 a for tungsten, and

from 4.0861 to 4.08625 a for silver. The greater

change in tungsten is due to higher purity (four 9's)

of the newer tungsten sample. The purity of the

old tungsten sample is approximately three 9's. A flat plate back reflection camera was specially constructed for these measurements. With

this type of camera only one diffraction ring is in

sharp focus with each setting. This tends to

limit its use to cubic materials. For each sample,

a radiation was selected which produced a back reflection ring between 165° and 178° {26). A

micro focus tube was chosen partly because of the

ease with which targets may be changed and

partly because the small external tube dimension

aUowed the glass photographic plate to be close

enough to the 0.1 mm X-ray target to satisfy

focusing. The sample powders were mounted

on a 5 cm diam rotating holder that was sphericaUy

shaped for the 50 cm focus. Samples of tungsten

were run on a shorter focus of 25 cm with a shaped

holder to fit a 25 cm sphere. The 10 in. X 2 in.

photographic plates had a hole cut in the center

prior to the emulsion coating.

An insulated box enclosed the camera and made

possible the circulation of air or helium at 25.00

0.02° C. A steady cooling effect was obtained

by using a fin containing 18° C water in a circulated air stream. The temperature was controlled by a proportioning device that aUowed

varying amounts of current to heat a 7W

light bulb also in the air flow. Temperature was

read from two Beckmann thermometers calibrated at 25° C. The diffraction ring recorded

on the photographic plate was scanned with a densitometer driven manuaUy by a comparator.

Densitometer readings were plotted for the Kai

portion of the peak and the center was chosen at

the point where the center line intersected the top

of the peak.

Measurements of the distance from sample to

the photographic plate emulsion were made by

an inside micrometer and end measuring rods.

Calculation of (^-values without sine tables was

possible using the formula d=

'4

h±b

2h

given: a =^ diam of diffraction ring

6= the distance from sample to the center

of the plate

and h='>/aF^-^.

3
Samples of high purity tungsten and silver were

obtained from several suppliers, but only three

tungsten and four silver samples gave sufficiently

sharp diffraction peaks for measurement of cell

values. Since the variation of cell values for

these samples was within the reproducibility of

the equipment, it appears that most samples of

tungsten or silver of four or five 9's purity and

producing sharp diffraction peaks would be suitable for x-ray spacing reference standards.

Cadmium oxide was also considered and measured as a spacing standard, but the cell size was

obtained from only one high purity sample.

Lattice constants

Corrected

Sample source for index of refraction

[1]

Tungsten

A A

Spex 1 Co 3. 16501 3. 16522

Spex Ni 3. 16508 3. 16526

Parrish ^ Ni 3. 16506 ''3. 16524

Fairmount

Co 3. 16501 3. 16522

Fairmount Ni 3. 16503 3. 16521

Present NBS Co 3. 16493 3. 16514

Standard

Silver

Cominco * Ni 4. 08625 4. 08639

Johnson & Ni 4. 08625 4. 08639

Matthey ' Engelhard ^ Ni 4. 08623 4. 08637

Present NBS Ni 4. 08626 4. 08640

Standard

Cadmium oxide:

Fairmount Co 4. 69559 4. 69573

Fairmount Ni 4. 69558 4. 69570

» CoKai=1.78890 A, NiKai=1.65783 A [2].

*• a =3.16522 A, mean value obtained in I.U. Cr. project using same tungsten sample [3].

1 Spex Industries, Inc., 3880 Park Avenue, Metuchen, N.J.

2 Dr. William Parrish. Piiilips Laboratories, Briarclifl Manor, N.Y.

3. Fairmount Chemical Co., Inc, 136 Liberty Street, New York, N.Y.,

10006.

* Cominco Products, Inc., Electronic Materials Division, 933 West Third

Avenue, Spokane 4, Washington.

' Johnson, Matthey & Co., Ltd., c/o Jarrell-Ash Co., Newtonville 60, Mass.

« Engelhard Industries, Inc., 113 Astor Street, Newark 14, N.J.

New lattice measurements will be used with the

recently obtained standard reference samples

beginning with the next Section of this Monograph. These changes will increase c^-values by

a factor of 1.00004 compared to the d-values

obtained with the older standard samples.

The following 26 angles for high purity tungsten,

silver, and cadmium oxide are computed using

copper radiation K„j = 1.5405 a and the cell 'limensions without index of refraction corrections.

Calculated 25 Angles

hkl w

0=3.16504 A

Ag

0 =4.08625 A

CdO , 0=4.69558 A

110 40. 262 ° 111 38. 112° 33. 012°

200 58. 252 44. 295 38. 304

211 73. 187

220 87. 000 64. 440 55. 286

310 100. 630

311 77. 390 65. 920

222 114. 922 81. 530 69. 256

321 131. 171

400 153. 533 97. 874 82. 014

331 110. 498 91. 290

420 114. 914 94. 378

422 134. 897 106. 954

511 156. 735 116. 939

440 136. 230

531 152. 076

600 159. 618

References

[1] H. Lipson and A. J. C. Wilson, The derivation of

lattice spacings from Debye-Scherrer photographs,

J. Sci. Instr. 18, 144 (1944).

[2] The conversion factor for kX units to angstrom units,

J. Sci. Instr. 24, 27 (1947).

[3] W. Parrish, Results of the I. U. Cr. precision lattice parameter project. Acta Cryst. 13, 838 (1960).

Barium Boron Oxide, high form, BaB204 (trigonal)

Powder data cards. No. 6-0220 and No.

6-0224, Levin and McMurdie [1] 1949. The

data on card No. 6-0220 was taken at 700 °C.

Card No. 6-0224 is for a lower temperature

form of BaB204.

Additional published patterns. None.

NBS sample. The sample of barium boron

oxide was prepared at NBS by C. E. Weir from

barium carbonate and boric acid. It was heated

at 1,000 °C, then alternately ground and reheated

several times. Spectrographic analysis showed

the following major impurities: 0.01 to 0.1 percent

each of calcium, silicon, and strontium; and

0.001 to 0.01 percent each of aluminum, sodium,

and nickel.

The sample is colorless and optically negative.

The indices of refraction are Ne= 1.530 and

No=1.658.

The (^-values of the three strongest lines are

3.619, 3.324, and 5.98 a. Structural data. Block, Perloff, and Weir

[2] in 1964 reported that there appear to be two

polymorphic forms of barium boron oxide, the

high form being trigonal having the space group

Qv—R3c (No. 161) or Dl^—R3c (No. 167) with

18 (BaBzOi) per unit hexagonal cell.

4
Barium Boron Oxide, BaBjOi (trigonal)

hkl Internal Standard W,a = 3.1648 a; temp. 25 °C

Cu X 1.5405 A

d I

A

006 6. 54 17

012 ^ Q8 53

yjxo 3.862 17

1 1 n 3.619 100

1 .0.1

n

3.324 83

116 3. 164 6

O-l-ll, 202 3 0Q4 2fi n94. 2. 986 3

2.912 2

1 1

Q

2.783 4

208 2. 639 16

0-2-10 2. 448

1.1.19 2^425 31

91

1

2. 365 2

9.0.1

1

^•\J' X X 2. 352 23

214 2.302 8

1016 2. 282 5

217 aX f 2. 180 3

0.0.1 8 2. 177 6

1x^o98 2. 131 18

1115 2. 120 <2

300, 2-0 14 2. 088 30

9.1X .10 * xu 2. 0268 27

^Ofi 0\J\J 1. 9897 2

1 .9.1

1

X X X 1.9721 2

0-2.16 1.9301 2 01-20 1. 8699 18

0.0.91 WV/-^Xj 1.1.18 x-x-xo L8653 16

990 1.9.14 1. 8087 12

994. 1. 7784 <2

3-0-12 1. 7599 8

312 1.7314 12

1 .0.99 1. 7133 4

2-0-20 1.6614 7

o^18xo 1. 6377 4

1-3-10 1. 5883 12

042 1. 5613 <2

0-2-22 1. 5487 4

1-2-20 1. 5098 6

1-313 1. 5060 9

Lattice constants

1964

1965

Block, Perlofif, and Weir [2]. National Bureau of

Standards, sample at 25 °C

a c

I

7. 23

7. 2351

I

39. 17

39. 192

hkl

Internal Standard W,

a = 3.1648 k; temp. 25 °C

Cu X 1.5405 A

d /

1-1-24

oA

1. 4882 <2

3-1-14 1. 4763 <2

4-0-10 1.4541 6

232 1. 4332 2

2-1-22 1. 4238 5

2-2-18 1. 3910 3

238 1. 3790 <2

410 1.3670 14

3-2-10 1. 3493 8

0-0-30 1. 3060 <2

3-1-20 1. 3004 8

0-2-28 1. 2775 <2

1-4-12 1.2610 <2

1-3-22 1. 2442 6

1-1-30 1. 2284 4

0-4-20 1. 2239 4

2-1-28 1. 2051 4

0-1-32 1. 2020 2

O-.'i.lO 1. 1937 <2

422 1. 1817 <2

40-22 1. 1760 2

2-3-20, 274 1. 1586 5

428 1. 1511 <2

2-4-10 1. 1334 <2

0-3.30 1. 1074 2

158 1. 0964 <2

1-3-28 1.0900 <2

1-2-32 1. 0»7o 4

0-2-34 1.0814 4

2-2-30 1. 0588 2

50-20 1. 0558 2

600, 1-0-37, 1-5-14 1. 0440 2

4-0-28 1. 0436 2

4-2-20 1.0134 4

3-2-28 1. 0026 4

The density of the high form of barium boron

oxide calculated from the NBS lattice constants

is 3.751 g/cm^ at 25 °C.

Reference

[1] E. M. Levin and H. F. McMurdie, The system

BaO-BazOj, J. Res. NBS 42, 131-7 (1949) RP 1956.

[2] S. Block, A. Perloff, and C. E. Weir, The crystallography of some M+2 borates. Acta Cryst. 17,

314 (1964).
Barium Boron Oxide, BaB407 (monoclinic)

Powder data card. No. 6-0334, Levin and

McMurdie [1]. Additional published pattern. None.

NBS sample. The sample of barium boron

oxide was prepared at NBS from boric acid and

barium carbonate, in a solid state reaction below

the melting point of 910 °C. Spectrographic

analysis showed the foUoAving major impurities:

0.1 to 1.0 percent silicon, and 0.01 to 0.1 percent

each of aluminum, calcium, cobalt, and strontium.

The sample was colorless and optically positive

with medium 2V. The indices of refraction are N„=1.594±0.004, N0=1.61O±O.OO4, and N^=

1.666±0.004.

The (^-values of the three strongest hues are

3.130, 3.805, and 4.908 a. Structural data. Block, Perloff, and Weir [2] in 1964 determined that barium boron oxide has

the spa,ce group CL—P2i/c (No. 14) and 8(BaB407)

per unit cell.

hkl

Internal Standard W,

a = 3. 1648 a; temp. 25 °C

Cu \ 1.5405 A

d /

100

102, 111

200

012

112

A

10. 22

5. 113

4. 995

4. 908

8

4.Q 24

39

72

102

211

210

112

020

4. 831

4 din

4. 335

4. 160

4. 096

42

1 4. 64

45

40

212

021

211

113, 120

121, 013

4. 010

O. Oa i 3. 847

3. 805

3. 742

5

24

94

24

121

302

212

221

220

3. 548

3. 388

3, 246

3. 229

3. 196

65

63

65

35

49

312

114

221

123

3, 130

3. 060

3. 029

2. 983

2. 967

100

55

6

12

12

014

311

313, 214

104

302

2. 939

2. 894

2. 870

2. 810

2. 712

32

11

12

65

10

123

321

130

320. 131

322

2. 691

2. 674

2. 638

2. 620

2. 614

27

29

7

} "

T24, 131

032

024, 132

224

410

2. 549

2. 507

2. 495

2. 452

2. 439

20

48

58

32

27

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Cu X 1.5405 A

d /

A

230 2. 410 22

223 1 9

2. 348 49

914. 9^1 J- 2. 316 40

AHA 2. 299 38

313, 322 2. 266 14

315, 324 9 947 1xofi A91 2. 219 25

2. 177 18

1 OO AOC\ iOO, 2. 168 25

225 2. 158 19

423, 332 A A

2. 104 27

2. 094 17

2. 077 19

421, 304 2. 060 13

511, 333 2. 039

niUlDA 2. 033 } 37

140 2. 008 21

314 1. 997 40

316 1. 980 21

134 1. 958 5

042 1. 946 7

422 1. 922 8

413 1. 914 14

T35, 511 1. 887 7 521, 242 1. 873 7 225 1. 837 7

315, 512 1. 768 10

044 1. 718 15

236 1. 688 9

325 1. 657 16

327, 334 1. 644 4

530, 226 1. 636 6

344, 208 1. 629 15

622, 441 1. 620 14

245 1. 593 13

6
Lattice constants

1964

1965

Block, Perloff, and Weir [2]_.

National Bureau of Standards,

sample at 25 °C

a b c

A

10. 56

10. 586

A

8. 20

8. 194

A

13. 01

13. 045

104. 95°

105. 150°

The density of barium boron oxide calculated References

from the NBS lattice constants is 3.558 g/cm^ m a^t t • ^ u u at at ^- rp, ^

. ort [1] ^- Levin and H. F. McMurdie, The system

at BaO BzOa, J. Res. NBS 42, 131-7 (1949) RP1956.

[2] S. Block, A. Perloff, and C. E. Weir, The crystallography of some M+2 borates. Acta Cryst. 17, 314

(1964).

Barium Fluosilicate, BaSiFg (trigonal)

Powder data card. No. 1-0534, Hanawalt,

Rinn, and Frevel [1] 1938.

Additional published patterns. None.

NBS sample. The sample of barium fluosihcate

was prepared at NBS from barium chloride and

hydrofluosiUc acid. The precipitate was dried at

60 °C. Spectrographic analysis showed the following impurities: 0.1 to 1.0 percent sodium; 0.01

to 0.1 percent each of aluminum, calcium^ potassium, magnesium, and strontium; and 0.001 to 0.01

percent each of iron, nickel, lead, titanium, and

zirconium.

The sample was colorless. The refractive indices could not be determined because the sample

was too fine-grained.

The c?-values of the three strongest lines are

3.593, 1.953, and 3.055 a.

hkl

(hex)

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Cu X 1.5405 A

d I

A

101 4. 650 30

110 3. 593 100

012 3. 055 60

021 2. 845 11 003 2. 336 42

202 2. 327 27

211 2. 230 58

300 2. 075 9

113 1. 958 29

122 1. 953 62

220 1. 796 13

104 1. 686 5

131 1. 676 4

303 1. 550 6

312 1. 548 9

024 1. 5269 7 401 1. 5187 7

223 1. 4242 8

042 1. 4219 10

214 1. 4050 14

321 1. 3992 1 015 1. 3679 3

410 1. 3582 9

232 1. 3223 6

205 1. 2785 1

Internal Standard W,

a = 3.1648 a; temp. 25 °C

hkl Cu X 1.5405 A

(hex)

d /

A

134 1. 2296 5

051 1. 2258 4

125 1. 2043 4

330 1. 1974 5

413 1. 1738 6

502 1. 1729 5

006 1. 1684 4

404 1. 1632 5

241 1. 1597 4

422 1. 1148 4

116 1. 1110 4

324 1. 1067 3

511 1. 1039 2

315 1. 0883 1 333 1. 0655 5

152 1. 0648 4

045 1. 0416 1 600 1. 0373 1 306 1. 0180 2

054 1. 0148 3

431 1. 0122 3

235 1. 0004 2 520 0. 9965 3

342 . 9821 3

226 . 9796 3

244 . 9765 2

7
structural data. Hoard and Vincent [2] in 1940

determined that barium fluosilicate has the space

group Dia—K,3m (No. 166), with SCBaSiFg) per

unit hexagonal cell.

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis by x-ray diffraction, Anal. Chem. 10,

457-512 (1938).

[2] J. L. Hoard and W. B. Vincent, Structures of complex

fluorides. Barium fluosilicate and barium fluogermanate, J. Am. Chem. Soe. 62, 3126-3129 (1940).

Lattice constants

1940

1965

Hoard and Vincent [2]_ National Bureau of Standards, sample

at 25 °C

a c

A

7. 19

7. 1854

± 0. 0003

A

7. 01

7. 0102

± 0. 0004

The density of barium fluosihcate calculated

from NBS lattice constants is 4.440 g/cm^ at 25 °C.

Cerium Arsenate, CeAs04 (monoclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of cerium arsenate

was precipitated at NBS from a water solution of

arsenic pentoxide and cerium trichloride. It

was heated to 930 °C for 1 hr to sharpen the pattern. Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent each of

calcium and antimony; and 0.001 to 0.01 percent

hkl

Internal Standard Ag,

a =4.086lA; temp. 25 °C

Cu X 1.54051

a 7I

A

lUl 5. 420 5 110 4. 908 14

Oil 4. 820 12

111 4. 324 11

101 4 183 4

111 3. 610 10

020 3. 581 16

200 3. 368 58

002 3. 260 8

120 3. 161 100

210, 211 3. 046 24

112 2. 978 34

012 2. 966 77

202 2. 710 25

212 2. 533 22

112 2. 507 16

220, 221 2. 451 6

122 2. 417 7 501 2. 310 4

130 2. 247 6

031, 103 2. 240 19

311 2. 198 8

221 2. 167 8

222 2. 161 5

122, 310 2. 142 5

131 2. 072 4

312 2. 029 5

212 2. 008 31

301 1. 972 4

230, 231 1. 945 11

103, 132 1. 930 31

311, 320 1. 902 15

023 1. 857 4

322 1. 822 20

503 1. 807 1

hkl

Internal Standard Ag,

a=4.086lA; temp. 25 °C

Cu X 1.5405 A

d 7

A

223 1. 799 2

231 I. lyi

Ut:U 1. 7892 8

1. 7817 25

1. 7293 12

400 1. 6825 8

404 1 A'rni i. o/yi 1 o

1. 6385 16

41^, ooU 1. 6345 14

1. 6294 8

3112 1. 6184 4

214 1 KOTO 7

1. 5883 4

1. 5830 8

1. 5796 6

T42 1. 5700 3

124, 420 1. 5235 7

A OO 1. 5197 4

1. 5067 3

OAO 1. 4931 5

314 1. 4809 3

421 1. 4127 1 423 1: 4086 1 431 1. 4058 1 340 1. 3989 4

324, 303 1. 3941 5 124 1. 3824 9

134 1. 3661 7 332 1. 3634 9

151, 233 1, 3542 <1

204 1. 3392 6

412 1. 3369 6

414 1. 3315 7 510 1. 3230 4

250 1. 3176 4

052 1. 3109 7 323 1. 2986 1 513 1. 2809 5 334 1. 2784 8

252 1. 2658 3

8
Lattice constants

1965 National Bureau of Standards, sample

at 25 °C

a 6 c |3 A

6. 9596

± 0. 0005

A

7. 1576

±0. 0005

A

6. 7378

±0. 0005

104° 42. 7' ±0. 3'

each of aluminum, iron, magnesium, and silicon.

Rare-earth impurities were less than 0.1 percent

of total rare-earth content.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine-grained.

The c?-values of the three strongest lines are

3.161, 2.966, and 3.6881.

Structural data. Schwarz [1] in 1963 reported

that cerium arsenate is isostructural with huttonite, with the space group Cfh—P2i/n (No. 14)

and 4(CeAs04) per unit cell. The density of cerium arsenate calculated from

the NBS lattice constants is 5.709 g/cm^ at 25 °C.

Reference

[I] H. Schwarz, Uber die Chromate (V) der Seltenen

Erden, I. Lanthanchromat (V), LaCr04, Z. Anorg

Allgem. Chem. 333, 1-14 (1963).

Cesium Fluoantimonate, CsSbFe (trigonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium fluoantimonate was prepared at NBS by treating a mixture

of antimony and cesium nitrates with hydrofluoric acid. The sample was dried at 100 °C.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent rubidium;

0.01 to 0.1 percent each of aluminum and nickel;

and 0.001 to 0.01 percent each of silver, calcium,

copper, iron, potassium, sodium, sihcon, and

thallium.

The sample is colorless. It is optically positive

with the indices No=1.400 and Ne=1.406.

The (/-values of the three strongest lines are

3.948, 3.534, and 2.192 a. Structural data. Schrewelius [1] in 1943 determined that cesium fluoantimonate has the space

group Did—R3m (No. 166) and 3(CsSbF6) per

unit hexagonal cell. The rhombohedral cell

reported by Schrewelius has been converted to

the equivalent hexagonal cell for comparison with

the NBS values.

Lattice constants

a c

A A

1943 Schrewelius [1]. 7. 98 8. 05

1965 National Bureau of

Standards, sample

at 25 °C 7. 9026 8. 252

±0. 0006 ± 0. 001

hkl

Internal Standard Ag,

a =4.0861 a; temp. 25 °C

Cu 1.5405 A

u

T

1

A

101 5. 273 5

110 3. 948 100

012 3. 534 69

021 3. 161 1 003 2. 751 2

202 2. 634 17

211 2. 467 5

300 2. 282 14

122 2. 192 35

220, 104 1. 976 15

024 1. 767 6

312 1. 724 8

214 1. 613 9

042 1. 580 5

410 1. 494 8

232 1. 468 5

134 1. 396 3

006 1. 375 <1

330, 404 1. 318 3

502, 116 1. 2991 4

324 1. 2497 2 422 1. 2338 2

152, 306 1. 1781 2

600, 054 1. 1402

520, 244 1. 0956

612, 416 1. 0119

440, 434, 208 0. 9874

532, 336 . 9512

164 . 9310 <1

710, 318 . 9068

Reference

[1] N. Schn

o/~1 menace xioux'g -aim BUluc louiiiuipiiuua am

^- compounds, Arkiv Kemi, 16B No. 7, 1-6 (1943).

The density of cesium fluoantimonate calculated ,.1 tvt c from the NBS lattice constants is 4.115 gW at \.^±'?r tiqkp

"'^^ analyses of thallium fluoanti-

--on ^ monate llSbFs and some isomorphous alkali

9
Cobalt,

Powder data cards. None.

Additional published patterns. Hull [1] 1921,

Sekito [2] 1927, and Hofer and Peebles [3] 1947.

NBS sample. The sample of cubic cobalt was

prepared at NBS by heating cobalt oxalate in a stream of hydrogen at 800 °C for about 10 min.

Spectographic analysis showed the following

major impurities: 0.1 to 1.0 percent each of nickel

and antimony; and 0.01 to 0.1 percent each of

alxmiinum and iron.

The sample was a dark grey opaque powder.

The (^-values of the three strongest lines are

2.0467, 1.7723, and 1.0688 a. Structural data. HuU [1] in 1921 determined

that the cubic form of cobalt has the copper

structure, the space group —Fm3m (No. 225)

and 4 (Co) per unit cell. There also exists a hexagonal close-packed form of cobalt and the

forms commonly occur together.

Internal Standard W,

o =3.1648 a; temp. 25 °C

hkl Co X 1.7889 A

d I a

A A

111 2. 0467 100 3. 5449

200 1.7723 41 3. 5446

220 1. 2532 23 3. 5446

311 1. 0688 29 3. 5448

222 1. 0233 11 3. 5448

Average value of last five lines 3. 5447

(cubic)

The lattice constant reported by Hull has been

recalculated with a Mo wavelength of 0.711 a. The lattice constant reported by Sekito could not

be converted because the wavelength used for

iron radiation was not given.

Lattice constants

I

1921 HuU [1] 3. 546

1927 Sekito [2] 3. 558

1947 Hofer and Pebbles [3] 3. 546

1950 Taylor and Floyd [4] 3. 5442

1965 NationalBureau of Standards,

sample at 25 °C 3. 5447

The density of cubic cobalt calculated from the

NBS lattice constant is 8.788 g/cm^ at 25 °C.

References

[1] A. W. Hull, X-ray crystal analysis of thirteen common

metals, Phys. Rev. 17, 571-587 (1921).

[2] S. Sekito, On the lattice constants of metallic cobalt,

Sci. Repts. Tohoku Imp. Univ. 16, 545-53 (1927).

[3] L. J. E. Hofer and W. C. Pebbles, X-ray difiFraction studies of the action of carbon monoxide on cobaltthoria-kieselguhr catalyst. I., J. Am. Chem. Soc. 69,

2497-2500 (1947).

[4] A. Taylor and R. W. Floyd, Precision measurements

of lattice parameters of non-cubic crystals. Acta

Cryst. 3, 285-289 (1950).

Cobalt Diarsenide, C0AS2 (monoclinic), revised

Powder data card. The following pattern is the same pattern shown on No. 11-115 prepared

in 1960 by NBS*; however, it has been reindexed

using recent data from the literature.

Additional published pattern. Quesnel and

Heyding [1] 1962.

NBS sample. Minor corrections and additions

were made to the original patterns.

Structural data. Quesnel and Heyding [1] in

1962 reported that cobalt diarsenide was isostructural with rhodium diphosphide, with the

space group Cih—^P2i/c (No. 14) and 4(CoAs2) per

unit cell. However, the unit cell measurements

reported by Quesnel and Heyding are not in close

agreement with the indexing reported by them.

Lattice constants

a b c

A A A

1962 Quesnel and Heyding [1]_ 5. 853 5. 805 5. 885 114°11'

1965 National Bureau of Standards, sample at 25 °C_ _ 5. 916 5. 872 5. 960 116°27'

The density of cobalt diarsenide calculated from the NBS lattice constants is 7.480 g/cm^ at 25 °C.

•NBS Circular 639, 10, 26 (1961).

10
hkl

Internal Standard W,

a=3.1648 k; temp. 25 °C

Co X 1.7889 A

a I

A

Til O. OZD Qo 020 z. yiJo 1 1 11

111 Z. lOO 1 Qio

002 o dad Z. ODD 47

200 2. 648 44

T21 o c 0£; Z. OOO lUU

012 z. 4zy oO

210 O /I 1 oZ. 41o COoZ

212 Zb

221 2. 083 4

102 Z. U45 0

022 1. y/4 dD 220 1. yoD 4

222 1 (11 Q 1. yio lU

113 1. 870 28

311 1. OOO ocZo

213 1. ozy 1 dlo

131 1 core OQ

013 i. /Uz <<>

131

T23 1. 6370 13

521 1. 6274 18

313 1. 6176 18

032 1. 5777 9

230 1. 5744 13

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Co \ 1 7889 1

I

202 1. 5637 16

232 1. 5463 5

023 1. 5217 3

204 1. 4869 <3

402 1. 4767 3

040 1. 4680 <3

323 1. 4600 <3

141 1. 4098 <3

832, 314 1. 3694

3

004, 123 1. 3336 12

321 1. OZOt> 1 9

400 1. 3239 7 422 1. 3189 7 014 1. 3010 3

242 1. 2689 13

Reference

[1] J. C. Quesnel and R. D. Heyding, Transition metal

arsenides V. A note on the rhodium arsenic system

and the monoclinic diarsenides of the cobalt family,

Can. J. Chem. 40, 814-818 (1962).

Cobalt Silicate, C02I

Powder data cards. None.

Additional published pattern. Gallitelli and

Cola [1] 1954.

NBS sample. The sample of cobalt silicate

was obtained from Alfa Inorganics Inc., Beverly,

Mass. Spectrographic analysis showed the following major impurities: 0.1 to 1.0 percent aluminum,

and 0.01 to 0.1 percent each of calcium, copper,

iron, sodium, nickel, lead, titanium, and zircon.

The color of the sample was pink. The indices

of refraction could not be determined because the

sample was too fine-grained.

i04 (orthorhombic)

The (^-values of the three strongest lines are

2.469, 2.790, and 3.516 a. Structural data. Gallitelli and Cola [1] in 1954

determined that cobalt silicate has the olivine

structure, the space group DH—Pmnb (No. 62)

and 4(Co2Si04) per unit cell. Ringwood [2] in

1963 determined that the olivine form of cobalt

silicate converts to a spinel form at 60 kilobars of

pressure and over, at 700 °C.

The density of cobalt silicate calculated from

the NBS lattice constants is 4.708 g/cm^ at 25 °C.

Lattice constants

1954

1963

1965

Gallitelli and Cola [1]. Ringwood [2] National Bureau of Standards, sample at 25 °C

a b c

A

5.99

5.996

6. 0074

A

10.27

10. 340

10. 310

A

4. 77

4. 779

4. 7823

11
Cobalt Silicate, CoSi04 (orthorhombic)—Continued

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Co X 1.7889 A

d I

A

020 5. 151 11 Oil 4. 336 13

120 3. 910 15

101 3. 739 6

111 3. 516 78

121 3. 026 7 200 3. 004 <5

031 2. 790 90

220 2. 594 35

040 2. 578 24

131 2. 530 74

211 2. 469 100

002 2. 392 17

140 2. 369 14

012 2. 330 10

221 2. 282 24

041 2. 270 16

112 2. 172 7 022 2. 168 5 231 2. 045 9

051 1. 895 6

311 1. 818 12

151 1. 807 6

222 1. 759

042 1. 754 1 72

321 1. 739 <5

142 1.683 11 160 1. 652 10

331 1.627 14

251 1.602 12

340 1.581 6

013 1.576 6

113,023 1.523 5 312 1.518 5 242 1.515 5

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Co x 1.7889 A

d /

A

152 1. 511 5

400, 341 1. 502 19

260 1. 492 25

033 1. 446

071 1. 407 13

062, 213 1. 3954 7 351 1. 3761

223 1. 3580 7 143 1. 3226 14

360 1. 3037

402 1. 2718 <5

303 1. 2474

004 1. 1956 5

333 1. 1723 <5

253 1. 1630 10

511 1. 1578 <5

442 1. 1403 7 214, 531 1. 1039 <5

224 1. 0856 10

291 1. 0446 8

433 1. 0421 8

471 1. 0270 8

611 0. 9758 8

References

[1] P. Gallitelli and M. Cola, Synthesis and crystallographic and structural properties of cobalt orthosilicate (olivine type), Atti Accad. Nazi. Lincei

Rend. Classe Sci. Fis. Mat. Nat. 17, 172-7 (1954).

[2] A. E. Ringwood, Olivine-spinel transformation in

cobalt orthosilicate. Nature 198, 79-80 (1963).

12
Cobalt Titanate, CoTiOs (trigonal)

Powder data card. No. 1-1040, New Jersey

Zinc Co.

Additional published pattern. Barth and Posnjak [1] 1934.

NBS sample. The sample of cobalt titanate,

obtained from Alfa Inorganics Inc., Beverly,

Mass., was pressed into a pellet and heated 4}^ hr

at 1,350 °C. Spectrographic analysis showed the

following major impurities: 0.01 to 0.1 percent

each of aluminum, calcium, copper, iron, nickel,

and sUicon.

The color of the sample was dark green. The

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

The c?-values of the three strongest lines are

2.727, 2.5340, and 1.7114a.

Structural data. Barth and Posnjak [1] in 1934

determined that cobalt titanate has the Umenite

structure, the space group Ci^—-RS (No. 148)

and 6(CoTi03) per unit hexagonal cell. The rhombohedral cell reported by Barth and

Posnjak was converted to the equivalent hexagonal ceU for comparison with the NBS values.

Lattice constants

a c

A A

1934 Barth and Posnjak [1] 5. 054 13. 989

1965 National Bureau of Standards, sample at 25 °C 5. 0683 13. 9225

The density of cobalt titanate calculated from

the NBS lattice constants is 4.980 g/cm^ at

25 °C.

hkl (hex)

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Co X 1.7889 A

d

A

uiz 3 717 37

104 2. 727 1X 00\J\J 110 2 .5340 1 o 006 2 3202 <^ 'i 113 2. 2240 26

202 9 nQ.34

30

107 1 ^114

116 1X. 7114 1 X X rx 018 1. 6178 I q 122 1. 6140 /

1X. 4Q74 rr i7 i ^ 9^1 300 X. rtUiiO 9Q

208 X. tJUOU o l-OlO 1. 3272 7 119 1. 3203 7

1 9fi79 A 306 X. £i<J t V 128 1X. 9007 ^\J\J t 0-2-10 1. 1756 6

134 1. 1488 <5

1. 1124 8

042 1. 0840 <5

2110 ^ . 0664 7 404 1. 0465 5 318 0. 9977 6

0114 . 9699 8

324 . 9675 7 410 . 9578 5

0-0-15, 048 . 9283 5

1.310 . 9165 10

Reference

[1] T. F. W. Barth and E. Posnjak, Notes on some

structures of the ilmenite type, Z. Krist. A88, 271

(1934).

Cobalt Tungstate, C0WO4 (monoclinic)

Powder data cards. None.

Additional published pattern. Broch [1] 1929.

NBS sample. The sample of cobalt tungstate

was obtained from Alfa Inorganics Inc., Beverly,

Mass. Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent each of

nickel and silicon, and 0.001 to 0.01 percent each

of calcium, copper, iron, magnesium, manganese,

lead, and vanadium.

The sample was a blue opaque powder.

The (Z-values of the three strongest lines are

2.916, 3.733, and 3.608 a. Structural data. Broch [1] in 1929 determined

that cobalt tungstate is isostructural with magnesium tungstate, with the space group C2*h—P2/a

(No. 13) and 2(CoW04) per unit cell. Since monoclinic doublets were not seen in the NBS pattern,

it was indexed as orthorhombic.

13

794-239 O - 66 - 3
Cobalt Tungstate, C0WO4 (monoclinic)—Continued

Lattice constants

a h c 0

1929 Broch [1] 4.93 5. 68 4. 66 90.0°

1965 National Bureau of Standards,

sample at 25 °C. _ _ . . 4. 9478 5. 6827 4. 6694 90. 0°

The density of cobalt tungstate calculated from

the NBS lattice constants is 7.760 g/cm^ at 25 °C.

Internal Standard W,

- a = 3.1648 a; temp. 25 °C

hkl Co X 1.7889 A

(ortho.)

d /

A

010 5. 683 8

001 4. 673 28

110 3. 733 31

Oil 3. 608 29

111 2.916 100

020 2. 842 10

200 2.473 20

120 2. 464 22, 021 2. 428 6

002 2. 335 10

210 2.269 <1

201 2. 185 14

121 2. 180 14

012 2. 160 <1

211 2. 041 8

1 1 o 1.979 8

030 1.894 1 220 1.866 7 022 1.803 5 031 1. 755 13

221 1.733 4

202 1.698 24

122 1.695 24

131 1.654 1 212 1.626 2

310 1.583 3

003 1. 556 <1

311 1.500 14

032 1.471 3

222 1.457 6

113 1.436 10

231 1.432 14

320 1.426 8

132 1.410 1 140, 023 1.365 7

hkl

(ortho.)

Internal Standard W,

a =3.1648 a; temp. 25 °C

Co X 1.7889 A

d

A

123 1. 3162 4

312, 141 1.3108 7

213 1. 2833 3

232 1. 2644 4

400 1. 2370 <1

322 1. 2172 4

033, 331 1. 2024 4

401 1. 1956 3

142 1. 1788 6

411 1. 1701 3

004 1. 1673 3

420 1. 1342 3

114. X J. fx 1. 1140 3

313 1. 1101 5

051 1. 1043 3

402 1. 0933 3

233 1.0815 5

151 1. 0777 6

124 1. 0552 6

341 1. 0489 2

430 1. 0356 <1

143 1. 0265 <1

052 1.0215 2 422 1.0201 2 431 1.0112 5

251 1. 0086 5 224 0. 9897 3

Reference

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

des Wolframittypus und des Scheelittypus, Skrifter

Norske Videnskaps-Akad. Oslo I: Mat.-Naturv. Kl.

No. 8, (1929).

14
Dysprosium Vanadate, DyV04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of dysprosium

vanadate was prepared at NBS by adding hot

sodium orthovanadate solution to a hot acidic

solution of dysprosium chloride. After the sample

was dried at 110 °C for 1 hr, it was heated for 20

min at 700 °C to improve the crystallinity.

Spectrographic analysis showed the following

impurities: 0.1 to 1.0 percent iron; 0.01 to 0.1

percent each of alimiinum, calcium, and silicon;

and 0.001 to 0.01 percent each of copper, manganese, and antimony. Rare-earth impurities

were less than 0.1 percent of total rare-earth

content.

The color of the sample was brown. The

indices of refraction could not be determined

because the sample was too fine-grained.

The (Z-values of the three strongest lines are

3.571, 2.675, and 1.837 A. Structural data. Milligan, Watt, and

Rachford [1] in 1949 determined that dysprosium

vanadate has the zircon structure, the space

group DJ^—I4i/amd (No. 141) and 4(DyV04) per

unit ceU.

Lattice constants

a c

A A

1949 Milligan, Watt, and

Rachford [1] . 7.09 6. 27

1965 National Bureau of Standards, sample

at 25 °C 7. 1434 6.313

± 0. 0004 ±0. 001

The density of dysprosium vanadate calculated

from the NBS lattice constants is 5.720 g/cm'

at 25 °C.

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Cu X 1.5405 A

d I

A

101 4. 728 36

200 3.571 100

211 2. 851 12

112 2. 675 65

220 2. 525 23

202 2. 363 7 301 2. 227 12

103 2. 018 12

321 1. 890 12

312 1. 837 58

400 1 786 13

213 1.758 6

411 1. 671 5 420 1. 597 14

004 1. 579 6

332 1. 4856 12

204 1. 4435 11 501 1. 3937 7 413 1. 3377 9

512 1. 2805 9

440 1. 2627 7 600 1. 1904 8

404 1. 1830 8

503 1. 1821 7 532 q

620 1. 1296 5 424, 523 1. 1225 7 305 1. 1158 3

116 1. 0297 5

640 0. 9909 4

444, 543 .9858 4

552 . 9622 6

Reference

[1] W. O. Milligan, L. M. Watt, and H. H. Rachford,

X-ray diffraction studies on heavy metal orthovanadates, J. Phys. Chem. 53, 227-234 (1949).

15
Europium(III) Vanadate, EUVO4 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of europium (III)

vanadate was prepared at NBS by adding a hot

solution of sodium orthovanadate to a hot acidic

solution of europiima chloride. After the sample

was dried at 110° C for 1 hr., it was heated for 10

min at 700° C to improve the crystallinity.

Spectrographic analysis showed the following

major nonrare-earth impurities: 0.1 to 1.0 percent

silicon; 0.01 to 0.1 percent each of aluminum and

magnesium; and 0.001 to 0.01 percent each of

cadmium, iron, and antimony. Rare-earth impurities were less than 0.2 percent of total rare- earth content.

The sample was colorless. The indices of

refraction could not be determined because the

sample was too fine-grained.

The rf-values of the three strongest lines are

3.619, 2.703, and 1.858 a. Structural data. Milligan, Watt, and Rachford [1] in 1949 determined that europium (III)

vanadate has the zircon structure, the space group

Di^—I4i/amd (No. 141) and 4(EuV04) per unit

ceU.

Lattice constants

1949

1965

Milligan, Watt, and

Rachford [1] National Bureau of Standards, sample

at 25 °C

a c

A

7. 19

7. 2365

± 0. 0002

A

6.33

6. 3675

± 0. 0003

The density of europium (III) vanadate calculated from the NBS lattice constants is 5.316

g/cm^ at 25 °C.

hkl

Internal Standard W,

a =3.1648 a; temp. 25 °C

Cu X 1.5405 1

a

J

1

I

101 4. 779 30

200 Q Al Q 1 C\f\ 211 9

112 9 70*? Z. t \jo 00

220 Zl

202 2. 390 8

301 9 9CiA Jii. ZOO 1 11 / 103 9Z. n^7 UO / 1 i 11 321 11 312 1. oOo 4y

400 1.810 18

213 11, 11^0 i 1 DZi 0

411 D 420 1 fil 7Q -1 1 1

303 i. oyou 0

332 1. 5034 14

204 1 A^ICi X . 40 /

11

501 11 . 4119 41 XZ A4

224 1. oOlO lU

512 1 nlU

440 1. 2794 4

600 A4

404 i. lyoo 0

215 1 1 i. Io04 A4

611 i. loyD Q0

532 1. 1565 6

620 9

523, 424 1, io4y R 325 1. 0753 4

116 1. 0390 4

640 1. 0034 4

552 0. 9742 5

316 .9626 8

604 .9613 6

624 .9291 5

732 .9104 4

820 .8774 2

516, 653 .8496 7

Reference

[1] W. O. Milligan, L. M. Watt, and H. H Rachford,

X-ray diffraction studies on heavy metal orthovanadates, J. Phys. Chem. 53, 227-234 (1949).

16
Gadolinium Arsenate, GdAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of gadolinium arse- nate was prepared at NBS from a water solution

of gadolinium trichloride and arsenic pentoxide

and heated for 30 min at 900 °C. Spectrographic

analysis showed the following major nonrareearth impurities: 0.01 to 0.1 percent each of

aluminum and antimony, and 0.001 to 0.01 percent each of iron, magnesium, lead, silicon, and

titanium. Rare-earth impurities were less than

0.1 percent of total rare-earth content.

The sample is colorless. The indices of refraction coidd not be determined because the sample

was too fine-grained.

The c?-values of the three strongest lines are

3.566, 2.689, and 1.8395 a. Structural data. Durif and Forrat [1] in 1957

determined that gadolinium arsenate has the

zircon structure with the space group —

I4i/amd (No. 141) and 4(GdAs04) per unit cell.

Lattice constants

1957

1965

Durif and Forrat [1] - _ - National Bureau of

Standards, sample

at 25° C

a c

A

7. 14

7. 1326

± 0. 0002

A

6.34

6. 3578

± 0. 0003

The density of gadolinium arsenate calculated

from the NBS lattice constants is 6.082 g/cm^ at

25 °C.

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Co X 1.7889 A

d 7

A

101 4. 747 10

200 3. 566 100

112 2. 689 64

220 2. 522

202 2! 374 4

301 2. 228 6

103 2. 032 6

321 1. 888 5

312 1. 8395 46

400 1. 7832 13

420 1. 5948 10

332 1. 4859 11

204 1. 4517 9

501 1. 3915

224 1. 3444 8

512 1.2805 11 440 1. 2608 2

600 1. 1890

404 1. 1866 ! 6

532 1. 1419 7

424 1. 1258 11 116 1. 0367 5

640 0. 9891

444 .9876 1 5

712 .9614 10

316 .9591 10

624 .9196 7

Reference

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

terres rares k structure zircon, Compt. Rend. 345,

1636-38 (1957).

17
Holmium Vanadate, H0VO4 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of holmium vanadate was precipitated at NBS by adding hot

sodium orthovanadate solution to a hot acidic

solution of holmium chloride. The sample was

first dried at 110 °C for 1 hr. To improve the

crystallinity, the sample was heated at 600 °C for

2 hr. Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent each

of iron and silicon, and 0.001 to 0.01 percent each

of sUver, aluminum, calcium, copper, magnesium,

and antimony. Rare-earth impurities were less

than 0.1 percent of total rare-earth content.

The color of the sample was dark brown. The

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

The d!-valves of the three strongest lines are

3.564, 2.668, and 1.8311 a. Structural data. Milligan and Vernon [1] in

1952 determined that holmium vanadate has the

zircon structure, the space group —I4i/amd

(No. 141) and 4(HoV04) per unit cell.

Lattice constants

a c

1952 Milligan and Vernon A A

[1] 7. 06 6. 25

1965 National Bureau of Standards, sample

at 25 °C 7. 1214 6. 2926

±0. 0002 ±0. 0005

The density of holmium vanadate calculated

from the NBS lattice constants is 5.825 g/cw? at

25 °C.

Reference

[1] W. O. Milligan and L. W. Vernon, Crystal structure of hea.vy metal orthovanadates, J. Phys. Chem. 56,

145-148 (1952).

Itin/L hlfl

Internal Standard W,

a =3.1648 a; temp. 25 °C

Cu X 1.5405 A

d /

A

101 4 716 27

3 ."564 1 f\r\

2. 841 7 119 2. 668 66

2. 517 18

202 2. 358 6

^ni 2. 221 10

1 0^ 2. 0111 9

^91 1. 8841 9

^1 9 1. 8311 51

400 1. 7807 15

91 ^ 1. 7511 oo

4.1

l! 6659 2

4-90 1. 5926 10

004. ^OS 1. 5722 5

332 1. 4809 13

904 '^9^ 1. 4385 0

'lOI l! 3888 3

41 ^ 1. 3334 10

1. 2899 1

512 1. 2765 9

440 1 2590 o

fiOO i. 1870 4

oyjo 'lO'^ 1. 1783 5

91 1. 1709 1

442 1. 1694 2

fil 1 1. 1511 1X ^^9 l! 1385 6

fi90 1. 1259 3

1. 1188 11

325 1. 0609 2

1 0470

1 1 R 1. 0261 4

fil uxo^ 1. 0223 1 fi40 0. 9874 2

444, 543 . 9826 3

712 . 9592 4

316 . 9508 3

633, 604 . 9473 3

703 . 9153 4

732 . 8964 4

18
Iridium Dioxide, Ir02 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of iridium dioxide

was obtained from K&K Laboratories Inc.,

Jamaica, N.Y. It was heated in an evacuated

sealed Vycor tube for 6 hrs at 900 °C. Spectrographic analysis showed the following major

impurities: 0.01 to 0.1 percent each of sodium,

lead, and platinum.

The sample was a black opaque powder.

The c^-values of the three strongest lines are

3.178, 2.582, and 1.6960 a. Structural data. Goldschniidt [1] in 1926 determined that iridium dioxide has the rutUe

structure, the space group D^^—P42/mnm (No.

136), and 2(Ir02) per unit cell.

Lattice constants

a c

A A

1926 Goldschmidt [1] 4. 50 3. 15

1965 National Bureau of Standards, sample at 25 °C 4. 4983 3. 1544

The density of iridium dioxide calculated from

the NBS lattice constants is 11.665 g/cm^ at 25 °C.

Reference

[1] V. M. Goldschmidt, Crystal structure of the rutile

type with remarks on the geochemistry of the

bivalent and quadrivalent elements, Sltrifter Norske

Videnskaps-Akad. Oslo I: Mat. Naturv. Kl. No. 1 (1926)

hkl

Internal Standard Ag,

a = 4.0861 a; temp. 25 °C

Cu X 1.5405 A

d 7

110 3. 178 100

101 2. 582 92

200 2. 2488 26

210 2. 0119

211 1. 6960 56

220 1. 5903 12

002 1. 5771 6

310 1. 4227 12

112 1. 4133 13

301 1. 3542 14

202 1. 2914 8

321 1. 1604 10

400 1. 1247 3

222 1. 1199 6

330 1. 0602 3

312 1. 0563 9

411 1. 0310 8

103 1. 0240 4

420 1. 0058 4

213 0. 9318 8

402 . 9157 3

510 . 8822 4

332 . 8799 4

501 . 8652 11 303 . 8609 5

. 8480 7

521 . 8075 9

323 . 8040 8

440 . 7953 3

004 . 7886 2

Lead Boron Oxide, PbB407 (orthorhombic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of lead boron oxide

was prepared at NBS from lead oxide and boric

acid. It was heated at temperatures below the

melting point (768 °C), ground, and then alternately reheated and reground several times.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent silicon and

0.001 to 0.01 percent each of aluminum, iron,

magnesium, and nickel.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine-grained.

The rf-values of the three strongest lines are

2.673, 3.952, and 4.122 a. Structural data. Block, Perloff, and Weir [1]

in 1964 determined that lead boron oxide has the

space group CL—Pnm2i (No. 31) and 2(PbB407)

per unit cell.

Lattice constants

1964

1965

Block, PerloflF, and Weir [1] National Bureau of Standards,

sample at 25 °C

a b c

A

4. 457

4. 4562

± 0. 0002

A

10. 840

10. 8401

±0. 0005

A

4. 244

4. 2434

± 0. 0002

19
Lead Boron Oxide, PbB407 (orthorhombic)—Continued

The density of lead boron oxide calculated from

the NBS lattice constants is 5.872 g/cm^ at 25 '^C.

Internal Standard W,

hkl a = 3.1648 a; temp. 25 °C

Cu X 1.5405 A

d /

A

020 5. 423 73

100 4. 456 10

110 4. 122 74

Oil 3. 952 80

120 3. 442 4

101 3. 072 52

111 2. 955 21 130 2. 806 57

031 2. 752 62

040 2. 709 22

121 2. 673 100

131 2. 341 5 140 2. 315 13

200 2. 229 20

210 2. 182 8

002 2. 121 18

220 2. 061 14

141 2. 033 53

022 1. 976 26

201 1. 972 21

150 1. 949 17

211 1. 941 21

051 1. 931 19

102 1. 916 <1

230 1. 896 11

112 1. 887 34

221 1. 854 12

060, 122 1. 807 13

151 1. 772 2

231 1. 7317 14

240 1. 7211 6

132 1. 6929 15

042 1. 6709 10

241 1. 5950 5 142 1. 5642 4

161 1. 5575 16

202 1. 5366 5 212 1. 5215 6

300 1. 4852 3

222 1. 4782 9

170 1. 4625 7

251 1. 4592 11 071 1. 4551 9

152 1. 4357 12

320 1. 4322 10

232 1. 4135 4

013, 301 1. 4024 10

311 1. 3902 8

171 1. 3826 2

062 1. 3751 5

Reference

[1] S. Block, A. Perloff, and C. E. Weir, The crystallography of some M+2 borates, Acta Cryst. 17, 314

(1964).

hkl

Internal Standard W,

a=3.1648 a; temp. 25 °C

Cu X 1.5405 A

d I

321 1. 3568

080 l! 3546 6

103 1. 3481 5

242 1. 3366 fio

261 1. 3328 Ayj

033 1 3169 5 123 1. 3081 11 340 1. 3026 8

270 1. 2715 2

252 1. 2538 3

341 1. 2453 3

181 1. 2399 7

350 1. 2254 1 271 1. 2177 5

312 1. 2090 3

143 1. 2069 3

172 1. 2043 6

203 1. 1942 <1

322, 213 1. 1871 7

053 1. 1847 8

351 1. 1772 3

262 1. 1704 2

223 1. 1663 4

190 1. 1632 2

280 1. 1581 4

332 1. 1529 1 360 1. 1473 <1

082 1. 1421 3

233 1. 1340 4

281 1. 1172 2

342 1. 1101 5

410, 361 1.' 1078 5 243 1. 0927 2

272 1. 0905 2 OlOO 1. 0841

163 1. 0807 4

401 1. 0778 3

411, 370 1. 0721 <1

430 1. 0646 1 352, 004 1. 0612 2

421 1. 0570 5 253 1. 0460 3

024 1. 0412 2

371 1. 0393 3

291 1. 0277 4

1101 1. 0222 5

313, 192 1. 0198 8

173, 282 1. 0164 4

362 1. 0093 2

20
Lithium Phosphate, low form (lithiophosphate), Li3P04 (orthorhombic) revised

This compound was described in earlier work [1]

from this laboratory. Recently the structure of

the low form was determined by Keffer, Mighell,

Mauer, Swanson, and Block [2]. The following

pattern is intended to replace the earUer one in

Monograph 25, Sections.

Powder data card. No. 12-230, Fisher [3]

1958.

Additional published patterns. Matias and

Bondareva [4] 1957 and National Bureau of

Standards [1] 1964.

NBS sample. The sample of lithium phosphate

was obtained from the City Chemical Co., New

York, N.Y. Spectrographic analj^is showed the

following major impurities: 0.1 to 1.0 percent

calcium; 0.01 to 0.1 percent each of aluminum,

sodium, and strontium; and 0.001 to 0.01 percent

each of barium, iron, magnesium, and silicon.

The sample was colorless. Two indices of

refraction are Na=1.550 and N^=1.538. It is optically negative with a large 2V. N^ could not

be determined because of the crystal shape.

The c^-values of the three strongest lines are

3.973, 3.797, and 2.640 a. Structural data. Keffer, Swanson, Mighell,

Mauer, and Block [2] in 1964 determined that

low form lithium phosphate has the space group

C2VPmn2i (No. 31) and 2(Li3P04) per unit cell.

References

[1] H. E. Swanson, M. C. Morris, E. H. Evans, and L. Ulmer, Standard X-ray Diffraction Powder Patterns,

NBS Mono. 25, Sec. 3, 38 (1964).

[2] C. Kefifer, A. Mighell, F. Mauer, H. Swanson, and

S. Block, The crystal structure of low temperature

lithium phosphate (to be published in Inorg. Chem.)

.

[3] D. J. Fisher, Note on lithiophosphate, Am. Mineralogist 43, 761-2 (1958).

[4] V. V. Matias and A. M. Bondareva, Lithiophosphate, a new mineral, Dokl. Akad. NaukSSSR 112, 124-6

(1957) ; an English abstract exists in Am. Mineralogist 42, 585 (1957).

[5] F. Zambonini and F. Laves, Uber die Kristallstruktur

des Li3P04 und seine Beziehung Zum Strukturtyp des

Olivin, Z. Krist. 83, 26-28 (1932).

hJrl fltCt

Internal Standard Ag,

0 = 4.0861 1; temp. 25 °C

Cu X 1.5405 A

d /

A

010 5. 232 34

110 3. 973 100

101 3. 797 98

oil 3. 554 56

111 3. 071 \ 26 200 3. 059 /

210 2. 640 64

020 2. 616 36

002 2 423 47

211 2. 318 ] 31 021 2. 303 /

012 2. 199 <^1

121 2. 155 4

112 2. 070 3

310, 202 1. 899 1 301 1. 879 2

221 1. 839 4

212 1. 785 14

311 1 769 9

122 1. 7074 1 130 1. 6777 2

031 1. 6415 1 320 1. 6083 3

131 1. 5855 2

103 1. 5616 4

013 1. 5431 3

400 1. 5287 11

230 1. 5152 16

113 1. 4959 1 410 1. 4675 1 411 1. 4043 2

213 1. 3776 14

123 1. 3409 2

420 1. 3203 2

040 1. 3078 <1

402 1. 2931 4

232 1 2848 8

331 1. 2788 4

303 1. 2656 2

412 1. 2550 1 223 1. 2533 1

240 1. 2027 <1

o±yj 1. 1909 2

501 1. 1860 2

241 1. 1676 3

422 1. 1591 2

430 1. 1498 <1

323 1. 1394 <1

340 1. 1014 2

794-239 O - 66 - 4
Lattice Constants

1932

1965

Zambonini and Laves [5]. National Bureau of Standards,

sample at 25 °C._- . .

a b c

A

6. 08

6. 1155

± 0. 0004

A

10. 28

5. 2340

± 0. 0005

A

4. 87

4 8452

±0. 0005

The density of lithium phosphate, low form, calculated from the NBS lattice constants is 2.479

g/cm^ at 25 °C.

Lithium Sulfate Monohydrate, Li2S04 • H2O (monoclinic)

Powder data card. No. 1-0425, Hanawalt,

Kinn, and Frevel [1] 1938.

Additional published patterns. None.

NBS sample. The sample of lithium sulfate

monohydrate was prepared at NBS from hthium

metal and sulfuric acid, using enough heat to fume

off the excess acid. Spectrographic analysis

showed the following major impurities: 0.01 to

0.1 percent each of silver, calcium, sodium, and

tungsten; and 0.001 to 0.01 percent each of aluminum, barium, iron, potassium, magnesium, siHcon,

and strontium.

The sample was colorless and optically negative.

The indices of refraction are N„= 1.460, N3=

1.477, and N^= 1.487 ; 2V is large.

The rf-values of the three strongest lines are

5.084, 4.133, and 3.559 A. Structural data. Ziegler [2] in 1934 determined

that lithium sulfate monohydrate has the space

group CI—P2i (No. 4) with 2(Li2S04-H20) per

unit cell.

Lattice Constants

1934

1952

1954

1965

Ziegler [2] Bechmann [3] Larson and Helmholz [4] National Bureau of Standards, sample at 25 °C.

a 6 c

A

5. 44

5. 45

5. 430

5. 4518

± 0. 0005

A

4 84

4 87

4. 836

4 8707

± 0. 0004

A

8. 16

8. 18

8. 140

8. 175

± 0. 001

107°35'

107°18'

107° 14' 107°19. 8' ±0. 4'

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis by x-ray diffraction, Anal. Chem. 10,

457-512 (1938).

[2] G. E. Ziegler, The crystal structure of lithium sulphate

The density of lithium sulfate monohydrate monohydrate, LizSOi-HjO, Z. Krist. 89, 456-459

calculated from the NBS lattice constants is 1.939 R^^hmann, Elastic and piezoelectric coefficients of g/cm at Zb lithium sulphate monohydrate, Proc. Phys. Soc. 65B, 375-77 (1952).

[4] A. C. Larson and L. Helmholz, Redetermination of the

crystal structure of lithium sulfate monohydrate,

LijSOi-HjO, J. Chem. Phys. 23, 2049-2050 (1954).

22
Lithium Sulfate Monohydrate, Li2S04 - H2O (monoclinic)—Continued

hkl

Internal Standard W,

a=3.1648 X; temp. 25 °C

Cu X 1.5405 k

J

A

001 7. 82 11

100- o. ^yjo Oi. 101 084. 1 on

Oil 4. 1'?'^

rr. XOO

002 ^ Qn4.

101 3. 837 86

102 O. \Jij\J ^4

110 Q9

111 0

012 MX

111 3. 014 8

112 9 Q4.4. 0^•^2 102 9 7^19 1

Q

201 9 794. 103 9 fififi

200, 003 2. 603 6

202 9 u 020 9 4^'i ^4

112 10

211 9 ^77 A

T13 2. 339 15

021 9 ^94 4. 210, 013 9 9Qii 1Q

201 9 974 7< 212 2. 254 8

120 9 907 > 11 121, 203 2 1Q7 1J 103 2

211 2. 061 10

1 91 2! 056 8

104 2. 036

122 2. 032 )

'

213 2. 001 5 004 1. 950 2

113 1. 921

202 1. 917 } "

204 1. 847 4

122 1 1. 825 3

few

Internal Standard W,

a=3.1648 A; temp. 25 °C

Cu X 1.5405 k

d J.T

211 I 815 1 5 501, 014 1. 811 ) 123, 302 1X, 797 1 17 1

212 1. 784

220, 023 1X. 778 110 }

'

222 1X. 7'iQ 1 KftJ 300 1X. 7.'^44 i OtI 7 214 1 7272 4

104 1. 6701 <1

221 1 fifil 7 /

310 1. 6342 3

223 1X. fi^in uoxv 2

203 1X. 61\JX*J\J "iO

513 1. 6006 5

301 1X. tJ^VJX "SPRI A

031 X, tJOi/O 114 1X, iJ<j\J\J "ison 2

005 1X. iJ\Jl.tJ "ifil ^ e0

T15, 130 1. 5496 8

504 X. tJltKj X «0

213 X. fjao X /I\ X 311 1X. ^'SIX\J671 032 X. ^t7t7x> 4

T32, 015 1. 4860 4

314 1X. 472^ 'T.I £dtj 321 1X. 4^^7i 2

302 1. 4343 2

320 1. 4129 2

132 1. 3983 3

231 1. 3946 3

133 1. 3866 3

305 1. 3832 2

204, 312 1. 3765 8

232 1. 3686 1 106 1. 3609 2

201 1. 3505 1

23
Magnesium Alummum Silicate (pyrope), Mg3Al2(Si04)3 (cubic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of pyrope was

obtained from Dr. F. R. Boyd [5] at the Geophysical Laboratory, Carnegie Institute, Washington, D.C. The sample was prepared from

magnesium silicate and aluminum silicate glasses

at 40 kilobars of pressm-e and at 1,400 °C for

1 hr. Spectrographic analysis showed the following major impurities: 0.1 to 1.0 percent each

of bismuth and iron; and 0.01 to 0.1 percent

each of calcium, nickel, titanium and vanadium.

The sample was colorless. The index of

refraction is 1.702.

The rf-values of the three strongest lines are 2.562, 2.865, and 1.5312 a. Structural data. Menzer [1] in 1926 determined that pjTope was an end-member of the

garnet group, having the space group Oi"—Ia3d

(No. 230) with SiMgaAlz (8104)3] per unit cell.

The density of pyrope calculated from the NBS

lattice constant is 3.563 g/cm^ at 25 °C.

hkl

Internal Standard Ag,

a = 4.0861 a; temp. 25 °C

Cu X 1.5405 A

d / a

A A

211 4 677 8 11. 46

220 4 053 4 11. 46

321 3. 063 8 11. 46

400 0 oc c

Z. ODO £3

Ol 1 1 /I'A li. 40

420 2. 562 100 11. 458

332 2. 443 40 11. 459

422 2. 339 22 11. 459

431 2. 247 27 11. 457

521 Id

440 2. 0256 8 11. 458

611 1. 8588 16 11. 458

620 1. 8120 7 11. 460

541 1. 7678 1 11. 457

631 1. 6894 1 11. 458

444 1. 6540 12 11. 459

543 1. 6205 1 11. 459

640 1. 5890 32 11. 458

721 1. 5594 2 11. 459

642 1. 5312 52 11. 458

732 1. 4551 2 11. 457

800 1. 4320 9 11. 456

741 1. 4102 4 11. 456

820 1. 3897 3 11. 460

653 1. 3696 4 11. 459

822 1. 3506 1 11. 460

831 1. 3323 2 11. 461

752 1. 2976 3 11. 460

840 1. 2811 10 11. 458

842 1. 2503 9 11. 459

921 1. 2355 5 11. 458

664 1. 2216 6 11. 460

851 1. 2079 3 11. 459

844 1. 1693 <1 11. 457

941 1. 1575 5 11. 459

1011 1. 1343 1 11. 456

10-20 1. 1235 2 11. 457

943 1. 1128 <1 11. 457

Internal Standard Ag,

a=4.0861 A; temp. 25 °C

hkl Cu X 1.5405 A

d / a

A A

10-31 1. 0927 <1 11. 460

871 1. 0729 1 11. 455

10-40 1. 0638 7 11. 459

10-4-2 1. 0459 7 11. 457

ll-l-O 1. 0374 1 11. 458

880 1. 0126 6 11. 456

11-3-2 0. 9897 1 11. 457

10-60 . 9826 1 11. 459

11-41 . 9751 <1 11. 455

10-6-2 . 9685 <1 11. 459

1200 . 9548 2 11. 458

12-ir . 9482 1 11. 457

12-20 . 9418 1 11. 457

11.5-2 . 9355 1 11. 457

12-2-2 . 9293 10 11. 457

12-3-1 . 9230 <1 11. 454

12-40 . 9057 <1 11. 456

11.6-3 . 8892 1 11. 457

13.21 . 8685 <1 11. 456

12-4.4 . 8634 2 11. 456

125-3 . 8587 2 11. 456

12-6-0 . 8539 8 11. 456

12-6-2 . 8445 2 11. 455

11-4-1 . 8399 1 11. 455

888 . 8268 4 11. 457

13-4-3 . 8224 2 11. 455

14-1-1 . 8141 3 11. 455

14-2-0 . 8100 2 11. 455

12-7-3 . 8060 1 11. 455

14-3-1 . 7981 2 11. 455

12-8-0 . 7943 2 11. 456

13-5-4 . 7906 1 11. 457

14.40 . 7867 10 11. 454

Average value of last five lines 11. 455

24
I

Magnesium Aluminum Silcate (pyrope), MgsAU (Si04)3 (cubic)—Continued

Lattice constants

A

1926 Menzer (natural)' [1] 11. 53

1927 Stockwellb [2] 11. 453

1937 Fleischer^ [3] 11. 463

1956 Skinner [5] 11. 459

1959 Boyd and England [6] 11. 456

1965 National Bureau of Standards,

sample at 25 °C 11. 455

» Natural pyrope contains iron.

*> Extrapolated from natural garnets.

References

[1] G. Menzer, Die Gitterkonstanten der Granate, Centr.

Mineral. Geol. A and B, 343-344 (1926).

[2] C. H. Stockwell, An x-ray study of the garnet group,

Am. Mineralogist 12, 327-344 (1927).

[3] M. H. Fleischer, The relation between chemical composition and physical properties in the garnet group.

Am. Mineralogist 23, 751-759 (1937).

[4] B. J. Skinner, Physical properties of end-members of the garnet group. Am. Mineralogist 41, 428-436

(1956).

[5] F. R. Boyd and J. L. England, Experimentation at high pressures and temperatures, Pyrope, Ann. Rept.

Director Geophys. Lab. No. 1320, 82-87 (1958-

1959).

Magnesium Boron Oxide, Mg2B205 (triclinic)

Powder data cards. No. 3-0841, Dow Chemical

Co., Midland, Mich. This card is called

magnesium metaborate, MgO-B203; however, the

data is comparable to ours. Two other cards,

Nos. 10-327 and 11-427, by Takeuchi [1] 1952 give

patterns for a monoclinic and the triclinic form.

Additional published patterns. None.

NBS sample. The sample of magnesium boron

oxide was prepared at NBS by C. E. Weir from a

slurry of magnesium carbonate and boric acid in

water. The sample was alternately fired and

ground several times reaching a maximum

temperature of 1,150 °C. Spectrographic analysis

showed the following ma] or impurities: 0.001 to

0.01 percent each of barium, beryllium, calcium,

iron, siUcon, and strontium.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine-grained.

The (Z-values of the three strongest lines are

2.579, 2.536, and 2.009 a. Structural data. Block, Burley, Perloff and

Mason [2] in 1959 determined that magnesium

boron oxide is isomorphous with cobalt boron

oxide having the space group C-—Pi (No. 2)

with 2(Mg2B205) per unit cell.

The density of magnesium boron oxide calculated from NBS lattice constants is 2.910 g/cm^ at

25 °C.

Lattice constants

1952

1959

1965

Takeuchi [1] Block, Burley, Perloff & Mason [2]-.-

National Bureau of Standards, sample at

25 °C

a 6 c a /3 7

A

5. 93

6. 187

6. 155

± 0. 001

A

9. 03

9. 219

9. 220

± 0. 002

A

3. 12

3. 119

3. 122

± 0. 001

90° 54'

90°24'

90°28'

±1'

90° 0' 92° 08'

92°09'

±1'

103°54'

104°19'

104°25'

±1'

25
Magnesium Boron Uxide, Mg2B205 (triclinic)—Continued

hkl

Internal Standard W,

o=3.1648 a; temp. 25 °C

Cu X 1.5405 A

d I

0 A

010 o. O

1 no 5. 96 10

110, 020 4 473 44

120 4. 099 14

120 3. 211 9

001 O.^ 1X^91X Q

210 3. 065 4

200, 030, T30 2. 979 26

Oil 2. 928 3

220 2. 824 46

101 9 71 7 oq

111 X JL X 2. 700 22

210 2. 635 14

021 1 fin 021

111 2. 513 8

130 230 a. 431 7 T40 2. 287 6

040 2. 232 6

031 2. 173 2

lol 2. 155 2

031 9 1 ^4. on

201 2. Ill 4

2. 066 2

2. 050 7

320 2. 009 47

211 1. y 1 15 *\i

loi 1. 948 30

loi 1. 888 25

1. 850 11

T50, T41 1. 842 16

221 1. / oO QO

241 1. 721

1. 717 1 ^

oUl 1. 707 1 11 241 1. 704 } 311 1. DoO 1 141, O^ij 1. 667 1 OO 1 261 1. 640 3

1 At 141 1. 624 1 5T1 1. 616 6

240, 150 1. 604 10

151 1. 589 4

002, 311 1. 558 24

051, T60 1. 537 4

410, 420 1. 532 10

251 1. 519 10

112,341 1. 514

251 1. 512 I -

430, 060 1. 489

341 1. 486 1 '»

References

[1] Y. Takeuchi, The crystal structure of magnesium

pyroborate, Acta Cryst. 5, 574-581 (1952).

[2] S. Block, G. Burley, A. PerlofF, and R. Mason, Refinement of the crystal structure of triclinic magnesium pyroborate, J. Res. NBS 63, No. 3, (1959)

RP2936.
Metaboric Acid, HBO2 (cubic)

Powder data cards. None. Nos. 1-0409 and

9-15 are for other modifications of metaboric acid.

Additional published patterns. None.

NBS sample. The sample of cubic metaboric

acid was prepared at NBS by Kilday and Prosen

[1] 1964 by holding orthoboric acid in a vacuum

with orthorhombic metaboric acid followed by

heating at 180 °C. Spectrographic analysis of

the starting materials showed no impurity greater

than 0.001 percent.

hkl

Internal Standard W,

a = 3.1648 A; temp. 25 °C

Cu X 1.5405 A

d / a

A

110 6. 280 47 8. 881

i. 442 100 o. oo4

210 3. 973 43 8. 884

211 3. 627 8. 884

220 3 14.n 8. 881

310 2 809 42 8. 883

999 i. 565 26 O. OO.D 320 2. 464 4 8. 884

321 2. 374 32 8. 883

400 2. 221 90 8. 884

410 2. 155 Qo 8. 885

J.1 1 i. 094 36 o. o»4

420 1. 986 6 8. 882

421 8. 886

332 1 8Q4. 1 7 8. 884

422 1 81 .34 .J 8. 884

ouu inn 1. 7768 2

510 \. 7424 5 8. 882

520 1. 6496 3 8. 883

521 1. 6215 5 8. 881

440 1. 5708 2 8. 886

530 1. 5232 13 8. 882

531 1. 5016 6 8. 884

600 1. 4805 2 8. 883

611 1. 4411 6 8. 884

620 1. 4044 6 8. 882

621 1. 3877 4 8. 886

541 1. 3714 2 8. 888

622 1. 3395 11 8. 885

630 1. 3245 14 8. 885

631 1. 3103 5 8. 887

444 1. 2824 4 8. 885

700 1. 2693 1 8. 885

710 1. 2567 4 8. 886

720 1. 2205 1 8. 885

721 1. 2090 7 8. 884

731 1. 1567 5 8. 885

650 1. 1374 1 8. 883

732 1. 1283 3 8. 884

800 1. 1106 3 8. 885

The sample was colorless. The refractive index

is 1.616.

The (^-values of the three strongest lines are

4.442, 1.939, and 3.627 a. Structural data. Zachariasen [2] in 1963 determined that cubic metaboric acid has the space

group T^—P43n (No. 218) with 24(HB02) per

unit cell. Three other forms of metaboric acid

have been reported in the literature: a monoclinic, an orthorhombic, and a tetragonal.

Internal Standard W,

a = 3.1648 A; temp. 25 °C

hkl Cu X 1.5405 A

d 7 a

! A

810 1 1 099 4 8. 886

CI 1 oil 1. 0937 4 o. ooO

820 1. 0774 4 8. 884

821 1.. UUi7tJ 7 8. 884

653 4. 8. 885

822 1 0479 4 8. 885

ooU 1. 0397 5

C QQQ O. OOO

831 1. 0326 4 8. 883

751 4 8. 885

662 1i. niuxyuQn 3 8. 883

832 1. 0124 1 8. 884

i 1. 0058 1 O. OOt5 840 0. 9934 1 8. 885

900 . 9875 1 8. 888

910 . 9811 2 8. 884

911 . 9753 3 8. 885

920 . 9639 1 8. 887

921 . 9581 5 8. 885

922 . 9418 2

8 oaf; 930 . 9366 1 8. 885

931 . 9313 2 8. 884

852 . 9212 2 8. 884

932 . 9164 2 8. 885

844 . 9064 1 8. 886

941 . 8976 1 8. 886

10- 10 . 8842 2 8. 886

10- 1- 1 . 8799 1 8. 887

10- 2-0 . 8712 2 8. 884

10- 2- 1 . 8670 2 8. 884

950 . 8630 2 8. 885

951 . 8590 3 8. 886

10- 2- 2 . 8549 2 8. 884

10- 3- 0 . 8510 1 8. 885

Average value of last five lines 8. 885

27
Metaboric Acid, HBO2 (cubic)—Continued

Lattice constants

A

1963 Zachariasen [2]. 8. 886

1965 National Bureau of Standards,

sample at 25° C 8. 885

References

[1] M. V. Kilday and E. J. Prosen, Heats of solution,

transition, and formation of three crystalline forms

of metaboric acid, J. Res. NBS 68A (Phys. and Chem.)

No. 1, 127-137 (1964).

[2] W. H. Zachariasen, The crystal structure of cubic

metaboric acid. Acta Cryst. 16, 380-384 (1963).

The density of cubic metaboric acid calculated

from the NBS lattice constant is 2.489 g/cm^

at 25 °C.

Neodymium Arsenate, NdAs04 (monoclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of neodymium

arsenate was precipitated at NBS from a water

solution of arsenic pentoxide and neodymium

trichloride. It was heated 1 hr at 930 °C.

Spectrographic analysis showed the following

major nonrare-earth impurities: 0.01 to 0.1 percent antimony and 0.001 to 0.01 percent each of

aluminum, calcium, iron, lead, and silicon. Rareearth impurities were less than 0.1 percent of total

rare-earth content.

The sample was colorless. The indices of

refraction could not be determined because the

sample was too fine-grained.

The c?-values of the three strongest lines are

3.129, 2.941, and 3.331 a. Structural data. Schwarz [1] in 1963 determined

that neodymium arsenate has the huttonite structure, the space group Cih—P2i/n (No. 14), and

4(NdAs04) per unit cell.

Lattice constants

a h c /3

A A A

1965 National Bureau of Standards, sample at 25 °C -6. 897 7. 094 6. 6849 104° 54 0' ± 0. 001 ± 0. 001 ± 0. 0007 ±0. 7'

The density of neodymium arsenate calculated Reference

from the NBS lattice constants is 5.950 g/cm^

at 25 °C ^" Schwarz, Uber die Chromate (V) der Seltenen

Erden, III Neodymchromat (V), NdCrOi, Z. Anorg.

Allgem. Chem. 322, 129 (1963).

28
Neodymium Arsenate, NdAs04 (monoclinic)—Continued

hkl

Internal Standard Ag,

a = 4.0861 a; temp. 25 °C

Cu X 1.5405 A

d /

A

TOl 5. 378 5

110 4. 860 10

Oil 4. 774 11

111 4 287 11

101 4. 137 4

111 3. 573 8

020 3. 546 14

200 3. 331 57

002 3. 227 7

120 3. 129 100

210, 211 3. 017 21

112 2. 958 34

012 2. 941 68

121, 202 2. 691 24

211, 212 2. 516 17

112 2. 484 14

220, 221 2. 428 6

T22 2. 397 5

301 2. 289 <2

130 2. 230

103, 031 2. 221 } "

311 2. 180 6

221, 222 2. 145 7

113, 310 2. 120 3

131 2. 053 <2

312 2. 013 <2

212 1. 986 27

301 1. 952 2

230, 231 1. 928 4

132 1. 913 25

320, 311 1. 882 15

Internal Standard Ag,

a = 4.0861 a; temp. 25 °C

Cu X 1.5405 A

d I

A

1. 842 3

^22 1. 807 17

040 1. 773 9

132 1. 765 19

1. 713 8

4.nn 409 1. 666 10

904. Tl 4 1. 626 5

410, 412 1. 622 10

004 1. 614 4

^19 ^9^ 1. 601 3

91 914 1. 586 5

014 X. O t o 4

332 1. 570

940 941 1. 566 } *

149 9^9 1. 557 2

T24 1. 512 4

322 1. 491 <2

242, 223 1. 480 4

340, 051 1. 386 2

124, 043 1. 369 6

T34 1. 365 6

342 1. 355 2

332 1. 350 7 034 1. 333 <2

204 1. 325

412, 414 1. 322 }

' 115 1. 311 <2

29
Neodymium Vanadate, NdV04 (tetragonal)

Powder data card. No. 6-0217, Milligan, Watt,

and Rachford [1] 1949.

Additional published patterns. None.

NBS sample. The sample of neodymium

vanadate was prepared at NBS by adding a hot

solution of sodmm orthovanadate to a hot acidic

solution of neodymium chloride. After the sample

was dried at 110 °C for 1 hr, it was heated for

20 min at 700 °C to improve the crystaUinity.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent silicon and

0.001 to 0.01 percent each of aluminum, calcium,

copper, and magnesium. Rare-earth impurities

were less than 0.1 percent of total rare-earth

content.

The color of the sample was pale blue. The

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

The rf-values of the three strongest lines are

3.664, 2.732, and 1.881a

Structural data. Milligan, Watt, and Rachford

[I] in 1949 determined that neodymium vanadate has the zircon structure, the space group

Dig—I4i/amd (No. 141) and 4(NdV04) per unit

cell.

Lattice constants

a c

A A

1949 Milligan, Watt, and

Racliford [1] 7. 31 6. 42

1965 National Bureau of

Standards, sample

at 2,5 °C 7. 3290 6. 4356

± 0. 0003 ±0. 0006

The density of neodymium vanadate calculated

from the NBS lattice constants is 4.979 g/cm^

at 25 °C.

Reference

[1] W. O. Milligan, L. M. Watt and H. H. Rachford,

X-ray diffraction studies on heavy metal orthovanadates, J. Phys. Chem. 53, 227-234 (1949).

Potassium Acid Phthalate, CeH,

Powder data card. No. 1-0020, Hanawalt,

Rinn, and Frevel [1] 1938.

Additional published patterns. None.

NBS sample. The sample of potassium acid

hkl

Internal Standard W,

a = 3.1648 A; temp. 25 °C

Cu X 1.5405 A

d /

A

101 4. 835 31

200 3. 664 100

211 2. 921 11 112 2. 732 73

220 2. 590 19

202 2. 419 5

301 2. 284 16

103 2. 059 10

321 1. 938 12

312 1. 881 57

400 1. 8325 16

213 1. 7951 5

411 1. 7131 2

420 1. 6391 13

303 1. 6122 3

004 1. 6086 6

332 1. 5219 16

204 1. 4733 13

501 1. 4293 6

224 1. 3670 12

512 1. 3121 12

440 1. 2954 5

600 1. 2214 5

404 1. 2086 6

215 1. 1977 5

611 1. 1840 3

532 1. 1704 10

620 1. 1584 5

424 1. 1481 10

325 1. 0874 2

613, 116 1. 0504 6

640 1. 0163 4

543, 444 1. 0004 4

552 0. 9867 5

VJOO, oxu . 9734 6

624 . 9404 6

732 . 9220 3

723, 336 . 9113 2

660 . 8637 3

653, 516 . 8596 9

(COOH)(COOK) (orthorhombic)

phthalate was obtained from J. T. Baker Chemical

Co., PhiUipsburg, N.J. Spectrographic analysis

showed the following major impurities: 0.001 to

0.01 percent each of aluminum, sodium, and

rubidium.

30
Potassium Acid Phthalate, C6H4(COOH)(COOK) (orthorhombic)—Continued

Lattice constants

1957

1963

1965

Okaya and Pepinsky [2] Bearden and Huffman [3] . ._ - National Bureau of Standards, sample at 25 °C

a h c

A

9. 61

9. 62

9. 607

o A

13. 26

13. 3164

13. 312

A

6. 47

6. 47

6. 475

The sample is colorless and optically negative.

The refractive indices are N„=1.500, N^=1.653, N.,=1.660, 2V^10°.

The cJ-values of the three strongest Unes are

13.32, 4.982, and 4.030 a. Structural data. Okaya and Pepinsky [2] in

1957 reported that potassium acid phthalate has

the space group * Di—P2i22i (No. 18) with

4[C6H4(COOH)(COOK)] per unit ceU.

The density of potassium acid phthalate calculated from the NBS lattice constants is 1.638

g/cm^ at 25 °C.

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis by X-ray diffraction, Anal. Chem. 10,

457-512 (1938).

[2] Y. Okaya and R. Pepinsky, The crystal structure of

ammonium acid phthalate, Acta Cryst. 10, 324-328

(1957).

[3] A. J. Bearden and F. N. Huffman, Precision measure- ment of the cleavage plane grating spacing of potassium acid phthalate, Rev. Sci. Instr. 34, No. 11,

1233-1234 (1963).

[4] Y. Okaya, The crystal structure of potassium acid

phthalate, KC6H4COOH-COOK, Acta Cryst. 19,

879 (1965).

•okaya [4] in 1965 reported that the revised space group is C«2v-Pca2, (No.

29).

1. 7*7

Internal Standard Ag,

a =4.0861 A; temp. 25 °C

Cu X 1.5405 A

d T

A

010 13. 32 100

1 1 n 1 lU 7.' 80 2 non uzu 6. 651 1 ill 4. 982 36

4. 802 4

030 4. 438

4." 179 14

4. 030 20

3. 894 4

3. 705 9

131 3. 423 6

001 3.' 338 12

3. 240 2

UlZ, 141) 3. 145 14

2. 990 18

231, 022 2. 912 12

6Z\) 2! 886 5 141 2. 830 4

1 00 \Z2i 2. 787 6

2. 684 2

050 2 fifi3 10

2. 632 6 noo \j6Z 2. 615 6

150 2. 566 2

i.6Z, 241 2. 522 7

222 2. 488 2

331 2. 410 4

151 2. 386 6

142 2. 257 4

411, 060 2. 219 2

251 2. 191 2

160 2. 161 2

242 2. 090 2

161 2. 050 6

152 2. 010 4

203 1. 969 3

351 1. 953 2

440 1. 946 1 261 1. 924 <1

133, 070, 510 1. 902 1

170, 441 1. 866 <1

062 1. 829 <1

233 1. 800 <1

162 1. 797 1 171 1. 792 1

31
Praseodymium Arsenate, PrAs04 (monoclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of praseodymium

arsenate was precipitated at NBS from a water

solution of arsenic pentoxide and praseodymium

trichloride. It was dried at 110 °C. Spectrographic analysis showed the following major

impurities: 0.01 to 0.1 percent antimony and

0.001 to 0.01 percent each of calcium, iron, magnesium, lead, and silicon. Rare-earth impurities were less than 0.1 percent of total rare-earth

content.

The color of the sample was light green. The

indices of refraction could not be determined

because the sample was too fine-grained.

The (f-values of the three strongest lines are

3.141, 2.953, and 3.349 a. Structural data. Schwarz [1] in 1963 reported

that praseodymium arsenate is isostructural with

huttonite with the space group Czi—^P2i/n (No.

14) and 4(PrAs04) per unit cell.

The density of praseodymium arsenate calculated from the NBS lattice constants is 5.804

g/cm^ at 25 X!.

hkl

Internal Standard Ag,

a=4.0861 a; temp. 25 °C

Cu X 1.5405 A

d /

A

TOl 5. 404 5

110 4 878 12

Oil 4. 799 11

Til 4. 304 12

101 4. 158 5

111 3. 591 8

020 3. 560 19

200 3. 349 60

002 3. 246 8

120 3. 141 100

210, 211 3. 031 24

112 2. 967 40

012 2. 953 82

202 2. 701 29

212 2. 525 22

112 2. 497 16

220, 221 2. 440 8

122 2. 405 8

301 2. 299 4

103, 031 2. 231 23

hkl

Internal Standard Ag,

a=4.0861 a; temp. 25 °C

Cu X 1.5405 A

d /

A

311 9 1 88 1 n OOO 091 2. 155 9

2. 134 2

2. 130 5

2. 061 4

312 9 n9i D 919 1. 997 39

1. 962 4

9Qn 9Q1 1. 935 11

1 (Vi. 1 ^9 1. 920 35

311, T23, 320 1 aoo 1 Q io

1. 848 6

^99 1. 814 25

oUo 1. 802 2

999 1. 797 2

223 11. 7Q^ < oq 9Q1 1. 785 4

1. 7794 8

1 '^9

1. 7726 30

1. 7202 13

ill 11. RR'ySl Oo^o 9

1. 6729 13

A\C\ 1. 6300 14

loo, ooU 1. 6265 16

1. 6231 12

312 1 fii ni co U14 1. 5823 5

1. 5761 8

1. 5722 9

1. 5632 2

T24 7

1. 5140 5

1. 4994 3

1. 4871 8

611 1. 4758 5

431 1. 3995 5

Ho, oiy) 1. 3922 6

303 1. 3871 5

124, 151 1. 3767 11 T34 1. 3709 10

342 1. 3602 6

332 1. 3568 12

Reference

[1] H. Schwarz, Uber die Chromate (V) der Seltenen

Erden, II. Praseodymchromat (V) PrCr04, Z. Anorg. Allgem. Chem. 333, 15-24 (1963).

32
Lattice constants

a

A A A

1965 National Bureau of Standards, sample at 25 °C 6. 929 7. 119 6. 715 104°48. 2' ± 0. 001 ± 0. 001 ± 0. 001 ±0. 6'

Samarium Arsenate

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of samarium arsenate

was prepared at NBS from a water solution of

samarium trichloride and arsenic pentoxide. The

sample was heated to 900 °C for 20 hrs to sharpen

the pattern. Spectrographic analysis showed the

following major nonrare-earth impurities: 0.1 to

1.0 percent silicon: 0.01 to 0.1 percent aluminum;

and 0.001 to 0.01 percent each of calcium, iron,

and magnesium. Rare-earth impurities were

less than 0.1 percent of total rare-earth content.

The sample had a cream color. The indices of

refraction could not be determined because the

sample was too fine-grained.

The c?-values of the three strongest lines are

3.594, 2.708, and 1.853 a. Structural data. Durif and Forrat [1] in 1957

determined that samarium arsenate has the zir- con structure with the space group DH—I4i/amd

(No. 141) and 4(SmAs04) per unit cell.

Lattice constants

1957

1965

Durif and Forrat [1]---

National Bureau of

Standards, sample

at25°C

a c

A

7. 20

7. 1865

± 0. 0004

A

6. 40

6. 3999

± 0. 0005

The density of samarium arsenate calculated

from NBS lattice constants is 5.813 g/cm^ at 25 °C.

Reference

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

terres rares a structure zircon, Compt. Rend. 345,

1636-38 (1957).

SmAs04 (tetragonal)

hkl

Internal Standard Ag,

a = 4.0861 1; temp. 25 °C

Cu X 1.5405 A

a

T

I

A

101 4. 784 14

200 O. tli7rr 1 00

211 7 112 9^. 708 1 yjo fiQ 220 1

Q

202 2. 390 4

301 9 944. 1 0

103 R\j 321 1.1 004. i70^ o 312 11. ouo 4Q

400 1. 7967 16

213 1 7778 9

411 1 fi81

420 1 1 X X 004 X1 0\J

332 1. 4973 12

204 1 4fi1

1X 0\J 501 1 4090 2 224 X. Ot^OtJ 8o 512 1 9Q01 1X 9£j

440 1. 2709 2

600 1. 1980 5

404 1. 1949 7

503 1. 1922 5 215 1. 1894 3

532 1. 1504 6

620 1. 1362 3

424 1. 1341 6

116 1. 0439 6

206 1. 0225 1

640 0. 9965 1 444 . 9948 1 552 . 9686 2 316 . 9655 2

604 . 9586 1

624 . 9263 5

732 . 9054 4

336 . 9029 2

820 . 8712 1 516 . 8504 6

644 . 8458 1

794-239 O - 66 - 5
Samarium Oxide, Sm203 (cubic)

Powder data cards. None. Nos. 9-201, 11-

412, and. 13-244 are for the monoclinic B form of

samarium oxide.

Additional published patterns. Zachariasen [1]

1927.

NBS sample. The sample of samarium oxide

was obtained from the Lindsay Chemical Co.,

West Chicago, 111. The cubic form was obtained

when the sample was heated at 800 ^C for 19 hrs.

The analysis by Lindsay Chemical Co. showed the

rare-earth impurities to be less than 0.1 percent of

total rare-earth content.

The sample was cream colored. The index of

refraction is about 1.97.

The c?-values of the three strongest lines are

3.155, 1.9317, and 2.731 a. Structural data. Zachariasen [1] in 1927 determined that the C-modification of samarium

oxide has the manganese dioxide structure, the

space group TJ—Ia3 (No. 206) with IGCSmzOg)

per unit cell.

Lattice constants

1925 Goldschmidt, Barth, and A

Ulrich [2] 10. 87

1927 Zachariasen [1] _ - - 10. 89

1939 Bommer [3]- _ 10. 915

1954 Templeton and Dauber [4] 10. 932

1954 Brauer and Gradinger [5] 10. 928

1965 National Bureau of Standards,

sample at 25 °C- 10. 927

The density of samarium oxide calculated from

NBS lattice constant is 7.100 g/cm^ at 25 °C.

References

[1] W. H. Zachariasen, The crystal structure of the

modification C of the sesqui oxides of the rare-earth

metals and of indium and thallium, Norsk Geol.

Tidsskr. 9, 310-316 (1927).

[2] V. M. Goldschmidt, T. Barth, and F. Ulrich, Geochemische Verteilungsgesetze der Elemente IV,

Zur Krystallstruktur der Oxyde der selten Erdmetalle Skrifter Norske Videnskaps-Akad. Oslo I Mat. Naturv. Kl. (1925).

[3] H. Bommer, Die Gitterkonstanten der C-Formen der

Oxyde der seltenen Erdmetalle, Z. Anorg. AUgem.

Chem. 241, 273-280 (1939).

[4] D. H. Templeton and C. H. Dauben, Lattice parameters of some rare-earth compounds and a set of

crystal radii, J. Am. Chem. Soc. 76, 5237-5239 (1954).

[5] I. G. Brauer and H. Gradinger, Uber heterotype

Mischphasen bei Seltenerdoxyden, Z. Anorg. All- gem. Chem. 376, 209-226 (1954).

Internal Standards W,

a = 3.1648 a; temp. 25 °C

hkl Cu X 1.5405 A

Ja I a

I A

211 4. 460 11 10. 925

222 3. 155 100 10. 929

321 2. 920 4 10. 926

400 2. 731 33 10. 924

411 2. 575 8 10. 925

420 2. 444 1 10. 930

332 2. 330 4 10. 928

510 2. 143 7 10. 927

521 1. 995 2 10. 927

440 1. 9317 40 10. 929

530 1. 8739 4 10. 927

600 1. 8212 1 10. 927

611 1. 7723 5 10. 925

541 1. 6857 4 10. 925

622 1. 6474 29 10. 928

631 1. 6111 7 10. 927

444 1. 5776 8 10. 930

710 1. 5454 2 10. 928

640 1. 5154 2 10. 928

721 1. 4871 2 10. 928

732 1. 3880 3 10. 929

800 1. 3663 4 10. 930

811 1. 3450 4 10. 927

831 1. 2703 3 10. 928

662 1. 2536 6 10. 929

840 1. 2218 5 10. 928

921 1. 1785 3 10. 929

930 1. 1521 4 10. 930

844 1. 1152 6 10. 927

941 1. 1040 <1 10. 929

10-2-0 1. 0714 3 10. 926

10-2-2 1. 0516 4 10. 928

10-3-1 1. 0418 4 10. 926

871 11 10. 927

10-4-0 1. 0145 3 10. 926

10-3-3 1. 0060 1 10. 929

11-2-1 0. 9736 3 10. 929

880 . 9660 2 1 n Q9Q

10-6-2 . 9236 2 10. 928

12-0-0 . 9106 2 10. 927

12-1-1 . 9043 2 10. 927

11-5-2 . 8921 1 10. 926

12-4-2 . 8532 2 10. 926

Average value of last five lines 10. 927
Scandium Arsenate, ScAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of scandium arse- nate was prepared at NBS from a water solution

of arsenic pentoxide and scandium trichloride.

It was heated 30 min at 900 °C. Spectrographic

analysis showed the following major impurities:

0.01 to 0.1 percent each of antimony, silicon, and

vanadium; and 0.001 to 0.01 percent each of

aluminum, chromium, copper, iron, magnesium,

lead and tin.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine-grained.

The rf-values of the three strongest lines are

3.354, 2.569, and 1.742 a. Structural data. No reference to the structure

of scandium arsenate was found, but it is apparently isostructural with yttrium arsenate with

the space group —I4i/amd (No. 141) and

4(ScAs04) per unit cell.

Lattice constants

1965 National Bureau of Standards, sample

at 25 °C

a c

A

6. 7101

±0. 0001

A

6. 1126

± 0. 0002

The density of scandium arsenate calculated

from the NBS lattice constants is 4.437 g/cm^ at

25 °C.

hkl

Internal Standards W,

a = 3.1648 1; temp. 25 °C

Cu X 1.5405 A

d /

A

101 4. 516 10

200 3. 354 100

211 2. 693 22

112 2. 569 48

220 2. 371 11

202 2. 259 7 301 2. 100 <1

312 1. 742 40

213 1. 6854 4

400 1. 6777 10

411 1. 5727 3

004 1. 5283 3

420 1. 5008 7

332 1. 4048 12

204 1. 3908 7

323 1. 3744 3

501 1. 3111 <1

224 1. 2851 4

314 1. 2400 2 521 1. 2210 2

512 1. 2090 5

105 1. 2032 3

440 1. 1864 2 404 1. 1299 3

600 1. 1186 3

532 1. 0771 5 424 1. 0709 6

620 1. 0611 2

541 1. 0332 1 116 0. 9960 3

444 . 9370 1 640 . 9305 3

316 . 9184 3

552 . 9062 4

604 . 9025 2

624 . 871 o 1 J-O Art 336 . 8565 1 732 . 8466 5 800 . 8388 1 811 . 8246 <1

615 . 8190 <1

820, 307 . 8137 1 516 . 8056 6

644 . 7948 3

660 . 7909

327 . 7905 }

'

35
Strontium Boron Oxide, SrB407 (orthorhombic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of strontium boron

oxide was prepared at NBS from strontium car- bonate and boric acid. It was heated to 1,000 °C,

ground, and then alternately reheated and reground several times. Spectrographic analysis

showed the following major impurities: 0.01 to 0.1

percent each of barium, calcium, and silicon; and

0.001 to 0.01 percent each of aluminum, iron, and

magnesium.

hkl

Internal Standard W,

a = 3.1648 a; temp. 25 °C

Cu X 1.5405 A

d /

A

020 5. 35 z4

100 4. 43 4

110 4. 10 29

Oil 3. 940 31

101 3. 061 28

111 Z. 94/ 13

130 2. 778 43

031 2. 729 51

040 2. 677 15

121 2. 657 100

131 1. 61'*. <1

140 2. 292 17

200 2. 214 26

210 2. 168 2

002 2. 118 30

220 2. 046 11 141 2. 015 63

022 1. 969 13

201 1. 962 16

211 1. 929 20

051 1. 911 8

230 1. 881 25

221 1. 842 3

122 1. 7990 2

060 1. 7846 5

231 1. 7187 8

240 1. 7060 4

132 1. 6839 7

042 1. 6609 4

241 1. 5818 1

142 1. 5549 4

161 1. 5419 8

202 1. 5301 6

212 1. 5147 1 222 1. 4708 5

251, 170 1. 4461 6

071 1. 4385 3

152 1. 4252 6

232 1. 4059 2

013 1. 3990 <1

260 1. 3893 3

311 1. 3817 3

171 1. 3677

062 1. 3644 } ^

321 1. 3481 6

Internal Standard W,

a =3.1648 a; temp. 25 °C

Cu X 1.5405 A

d I

A 103 1. 3444 Qo UoU \, 3384 5 242 1. 3280 4

261 1 ^198

033 Qo

123, 162 1 "^040 7

1. 2919 7

270, 133 1. 2584 <1

252 1. 2450 1 341 1 2^fi0 2

181 1. 2264 3

OCA 1." 2150 2 271 1. 2062 2

312 1. 2026 4

172 1. 1940 4

213 1. 1825 3 U6o l'. 1784 4

223, 262 1. 1616 3

091, 280 3 082 1. 1313 3

233 1. 1288 4

l! 1030 3

361 1. 0982 3

420 1 0837 ^1—

163

O-IO-O, 401 1 0710

/111 41

1. 0652 1 352 1. 0540 1 421 1. 0498 2

253 1. 0402 2

024 1. 0379 2

371 1. 0300 1 114 1. 0247 2

303 1. 0198 <1

291 1. 0173 <1

313 1. 0152 2

124, 1.10-1 1. 0107 4

282 1. 0076 4

323, 362 1. 0016 1 441 0. 9942 <1

263 . 9899

}

' 134 . 9892

044 . 9843 1 412 . 9766 1 381, 422 . 9650 2

36
strontium Boron Oxide, SrB407 (orthorhombic)—Continued

The sample was colorless. The indices of

refraction could not be determined because the

sample was too fine-grained.

The oJ-values of the three strongest lines are

2.657, 2.015, and 2.729 a.

Structural data. Block, Perloff, and Weir [1]

in 1964 determined that strontium boron oxide

has the space group CI,-—^Pnm2i (No. 31) and

2(SrB407) per unit cell.

Lattice constants

1964

1965

Block, Perloff, and Weir [1] National Bureau of Standards,

sample at 25 °C

a 6 c

A

4. 431

4. 4263

±0. 0002

A

10. 706

10. 7074

±0. 0005

A

4. 237

4. 2338

±0. 0002

The density of strontium boron oxide calculated

from the NBS lattice constants is 4.019 g/cm^

at 25 °C.

Reference

[1] S. Block, A. Perloff, and C. E. Weir, The crystallography of some M+2 borates. Acta Cryst. 17, 314

(1964).

Tin Arsenide, SnAs (cubic'^

Powder data cards. None.

Additional published patterns. Willott and

Evans [1] 1934.

NBS sample. The sample of tin arsenide was

prepared at NBS in a solid state reaction by

heating a mixture of arsenic and tin in an evacuated Pyrex tube at 500 °C. Spectrographic

analysis showed the following major impurities:

0.01 to 0.1 percent lead, and 0.001 to 0.01 percent

each of aluminum, antimony, bismuth, copper,

indium, iron, magnesium, nickel, and silicon.

The sample was a gray opaque powder.

The (Z-values of the three strongest lines are

2.862, 2.024, and 1.652 a. Structural data. Goldschmidt [2] in 1928 determined that tin arsenide has the sodium chloride

structure, the space group 0^—Fm3m (No. 225)

and 4 (SnAs) per unit cell.

Lattice constants

A

1928 Goldschmidt [2],__ 5. 720

1934 Willott and Evans [1] 5. 692

1935 Hagg and Hybinette [3] 5. 728

1965 National Bureau of Standards,

sample at 25 °C 5. 7248

The density of tin arsenide calculated from the

NBS lattice constant is 6.854 g/cm^ at 25 °C.

Internal Standard W,

o = 3.1648 A; temp. 25 °C

hkl Cu X 1.5405 A

d / a

A A

111 3. 306 13 5. 725

200 2. 862 100 5. 725

220 2. 024 55 5. 725

311 1. 726 4 5. 723

222 1. 652 17 5. 724

400 1. 4310 8 5. 724

331 1. 3129 2 5. 723

420 1. 2800 16 5. 724

422 1. 1684 10 5. 724

511 1. 1015 <1 5. 724

440 1. 0120 2 5. 725

531 0. 9676 1 5. 724

600 . 9540 6 5. 724

620 . 9052 4 5. 7247

622 . 8630 4 5. 7244

444 . 8263 1 5. 7248

711 . 8017 <1 5. 7252

640 . 7939 4 5. 7250

Average value of last five lines 5. 7248

References

[1] W. H. Willott and E. J. Evans, X-ray investigation

of the arsenic -tin system of alloys, Phil. Mag. 18,

114 (1934).

[2] V. M. Goldschmidt, Atomic distances in metals, Z. Physik. Chem. (Leipzig) 133, 397 (1928).

[3] G. Hagg and A. G. Hybinette, X-ray studies on the

systems Sn-Sb and Sn-As, Phil. Mag. 30, 913 (1935)

37
Ytterbium Arsenate, YbAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of ytterbium arse- nate was precipitated at NBS from a water solution of arsenic pentoxide and ytterbium trichloride.

It was dried 1 hr at 880 °C. Spectrographic

analysis showed the following major nonrare-earth

impurities: 0.01 to 0.1 percent each of antimony

and titanium and 0.001 to 0.01 percent each of

aluminum, calcium, iron, nickel, lead, and silicon.

Rare-earth impurities were less than 0.1 percent

of total rare-earth content.

The sample was colorless. The indices of

refraction could not be determined because the

sample was too fine-grained.

The (/-values of the three strongest lines are

3.486, 2.6375, and 1.8004 A. Structural data. Durif and Forrat [1] in 1957

determined that ytterbium arsenate has the zircon

structure with the space group DH—I4i/amd (No.

141) and 4(YbAs04) per unit cell.

Lattice constants

1957

1965

Durif and Forrat [1]_ . _ National Bureau of Standards, sample

at 25 °C

a c

A

6. 99

6. 9716

±0. 0002

A

6. 24

6. 2437

± 0. 0003

The density of ytterbium arsenate calculated

from the NBS lattice constants is 6.828 g/cm^ at

25 °C.

Reference

[1] A. Duril and F. Forrat, Sur quelques arseniates des

terres rares structure zircon, Compt. Rend. 345,

1636-38 (1957).

hkl

Internal Standard W,

a =3.1648 a; temp. 25 °C

Cu X 1.5405 A

d /

J_ 101 4. 652 22

200 3. 486 100

91 1 2. 788 5 112 2. 6375 74

220 2. 4648 24

202 2 3258 3

301 2. 1781 10

lUo 1. 9939 7 321 l! 8468 7 312 1. 8004 56

400 1. 7424 16

213 1. 7308 3

411 1. 6316 1

l! 5587 15

332 1. 4541 14

204 1. 4250 11 501 1. 3604 2 224 1. 3188 8

i. 2524 11 440 1. 2322

105 1. 2289 } '

J

404 1. 1625 \ 503 1. 1582 } ^ Oil l! 1271 <1

532 1. 1166 7

424 1. 1029 12

325 1. 0491 <1

631

111IDA 1. 0187 3

613 1. 0039 <1

444, 640 fl 9669 5

543 . 9647 3

721 . 9464 <1

. 9403 9

604 . 9321 2 633 . 9302 2

624 . 9004 5

703 . 8984 3

732 . 8784 5

800 . 8715 <1

820 . 8456 <1

516 . 8282 5

644 . 8220 5

536 . 7849 7

38
Zinc Antimony Oxide, ZnSb204 (tetragonal)

Powder data cards. No. 4-0563, Stahl [1] 1943.

No. 1-0678 is probably ZnO-SbgOs and not

ZnO.Sb203.

Additional published patterns. None.

NBS sample. The sample of zinc antimony

oxide was prepared at NBS from zinc oxide and

antimony trioxide. The mixture was wrapped in

gold foil and sealed in a nitrogen filled quartz tube.

It was heated to 700 °C for % of an hour. Spectrographic analysis showed the following major

impurities: 0.01 to 0.1 percent each of arsenic,

magnesium, lead, and silicon.

nKl

Internal Standard W,

a = 4.0861 a; temp. 25 °C

Cu X 1.5405 A

d I

A

110 6. 021 8

200 4 261 17

3^ 811 1 Oil 3. 206 100

ZZyj 3. Oil 22

002 2. 964 10

310 2. 694 29

1 1 o 1 Iz 2. 662 11

2. 434 19

Zlz 2. 341 7

400 2. 129 1 410 2. 066 2

o o n 2. 008 6

1. 995 3

/ill 1. 9509 29

420 1. 9042 6

213 1. 7552 14

A no 1. 7296 6

4ol) 1. 7033 <1

o o o

1. 6625 19

O^1 1 J- -L 1. 6075 <1

520 1. 5815 <1

521 1. 5283 6

440 1. 5056 1 004 1. 4833 4

432 1. 4775 3

530 1. 4607 7

512 1. 4551 3

413 1. 4283 8

600 1. 4192 5

610 1. 4000 1 620 1. 3469 1 224, 540 1. 3302 <1

532 1. 3104 3

541 1. 2980 6

602 1. 2805 3

523 1. 2350 4

622 1. 2264 4

334 1. 1933 <1

424 1. 1704 1 <1

The color of the sample was off-white. The

indices of refraction could not be determined

because the sample was too fine-grained.

The c^-values of the three strongest lines are

3.206, 2.694, and 1.9509 a. Structural data. Stahl [1] in 1943 determined

that zinc antimony oxide has the space group

Dl^—P4/mbc (No. 135) with 4(ZnSb204) per

unit cell.

L 1 7 hkl

Internal Standard W,

a = 4.0861 a; temp. 25 °C

Cu X 1.5405 A

d /

A

721 1. 1477 2 215 1. 1327 4

730 1. 1184 2

712 1. 1159 3

543 1. 1035 2

731 1. 0989 <1

642 1. 0972 1 650 1. 0904 1 651 1. 0728 1 800 1. 0648 <1

444, 810 1. 0565 1 811 1. 0400 5

820 1. 0328 <1

415, 713 1 0288 1 604 1. 0258 1

653 1. 0232 <1

821 1. 0174 <1

425, 723 1. 0068 2

660 1. 0037 2

751 u. y / DO 1

822 . 9754 <1

206 . 9633 <1

840 . 9523 2

662 . 9508 1 525 . 9493 1

910 . 9405 1 841 . 9400 1 752 . 9390 1 813 . 9318 3

644, 920 . 9239 <1

921 . 9128 <1

930 . 8977 1 406, 912 . 8966 <1

851 . 8925 3

336 . 8870 2

753 . 8852 2 932 . 8593 4

lO-O-O . 8517 1 lO-O-l . 8432 <1

lO-l-l . 8390 2

39
Zinc Antimony Oxide, ZnSb204 (tetragonal)—Continued

Lattice constants

Ui

A A

1943 Stahl [1] 8. 508 5. 932

1965 National Bureau of

Standards, sample

at 25 °C 8. 5168 5. 9331

± 0. 0002 ± 0. 0003

The density of zinc antimony oxide calculated

from the NBS lattice constants is 5.754 g/cm' at

25 °C.

Reference

[1] S. stahl, The crystal structure of ZnSb204, Arkiv Kemi,

Bd. 17B No. 5, (1943-44).

CALCULATED POWDER PATTERNS

Antimony Cerium, CeSb (cubic)

Calculated Pattern

Additional published pattern. landelli and

Botti [8] 1937.

Structural data. landelli and Botti [8] in 1937

determined that antimony cerium is isomorphous

with sodium chloride with the space group

O^— Fm3m (No. 225) and 4(CeSb) per unit cell. The atoms occupy the special positions:

Ce: 0 0 0

Sb: § ^ J.

Lattice constants

A

1937 landelli and Botti [8] 6. 412

1963 Kuz'min and Nikitina [32] 6. 41

The lattice constant used in this calculated

pattern is a =6.412 1.

No temperature correction was included.

The calculated (i-values of the three strongest

lines are 3.21, 2.27, and 1.434 1.

The calcvdated density is 6.598 g/cm^.

Calculated Pattern

Copper \

hkl d

Peak

height

I

A

111 3. 70 <1

200 3. 21 100

220 2. 27 69

311 1. 933 <1

222 1. 851 23

400 1. 603 10

331 1. 471 <1

420 1. 434 27

422 1. 309 19

511 1. 234 <1

440 1. 133 6

531 1. 084 <1

600 1. 069 12

620 1. 014 8

622 0. 967 8

444 . 925 2 711 . 898 <1

640 . 889 7 642 . 857 14

731 . 835 <1

800 . 802 2
Antimony Dysprosium, DySb (cubic) Antimony Erbium, ErSb (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that antimony

dysprosium is isomorphous with sodium chloride

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

4(DySb) per unit cell. The atoms occupy the

special positiolis:

Dy: 0 0 0

Sb: \ \ \-

Brixner [30] reports the lattice constant

a=6.153 A. No temperature correction was included.

The calculated (i-values of the three strongest

lines are 3.08, 2.18, and 1.376 a. The density of antimony dysprosium calculated

from the constant of Brixner is 8.104 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 55 4

200 3. 08 100

220 2. 18 68

311 1. 855 2

222 1. 776 22

400 1. 538 10

331 1. 412 <1

420 1. 376 26

422 1. 256 19

511 1. 184 <1

440 1. 088 6

531 1. 040 <1

600 1. 026 13

620 0. 973 9

533 . 938 <1

622 . 928 8

444 . 888 3

711 . 862 <1

640 . 853 8

642 . 822 16

731 . 801 <1

Calculated Pattern

Brixner [30] in 1960 determined that antimony

erbium is isomorphous with sodium chloride with

the space group —^Fm3m (No. 225) and

4(ErSb) per imit cell. The atoms occupy the

special positions:

Er: 0 0 0

Sb: \ \ \.

Brixner [30] reports the lattice constant

a=6.106 A. No temperature correction was included.

The calculated rf-values of the three strongest

lines are 3.05, 2.16, and 1.365 a. The density of antimony erbium calculated from

the constant of Brixner is 8.432 g/cm^

Calculated Pattern

Copper X

Peak

hkl

height

d

/

A

111 3. 53 4

200 3. 05 100

220 2. 16 68

311 1. 841 2

222 1. 763 22

400 1. 526 10

331 1. 401 <1

420 1. 365 26

422 1. 246 19

511 1. 175 <1

440 1. 079 6

531 1. 032 <1

600 1. 018 13

620 0. 965 9

533 . 931 <1

622 . 921 9

444 . 881 3

711 . 855 <1

640 . 847 8

642 . 816 17

731 . 795 <1
Antimony Gadolinium, GdSb (cubic) Antimony Lanthanum, LaSb (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that antimony

gadolinium is isomorphous with sodium chloride

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

4(GdSb) per unit cell. The atoms occupy the

special positions:

Gd: 0 0 0

Sb: \ h ^^

Brixner [30] reports the lattice constant a=6 .2 17 a. No temperature correction was included.

The calculated (Z-values of the three strongest

lines are 3.11, 2.20, and 1.390 a. The density of antimony gadolinium calculated

from the constant of Brixner is 7.712 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 59 3

200 3. 11 100

220 2. 20 69

311 1. 874 1 222 1. 795 23

400 1. 554 10

331 1. 426 <1

420 1. 390 26

422 1. 269 19

511 1. 196 <1

440 1. 099 6

531 I. 051 <1

600 1. 036 12

620 0. 983 9

533 . 948 <1

622 . 937 8

444 . 897 3

711 . 870 <1

640 . 862 8

642 . 831 16

731 . 809 <1

Calculated Pattern

Additional published pattern. landelli and

Botti, [8] 1937.

Structural data. landelli and Botti [8] in 1937

determined that antimony lanthanum is isomorphous with sodiimi chloride with the space

group O^—Fm3m (No. 225) and 4(LaSb) per unit

cell. The atoms occupy the special positions:

La: 0 0 0

Sb: ^ J

Lattice constant

1937 landelli and Botti [8] A

6. 488

1963 Kuz'min and Nikitina [32] 6. 49

The lattice constant used in this calculated

pattern is a= 6.488 a. No temperature correction was included.

The calculated cJ-values of the three strongest

lines are 3.24, 2.29, and 1.451 a. The calculated density is 6.339 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 75 <1

200 3. 24 100

220 2. 29 69

311 1. 956 <1

222 1. 873 23

400 1. 622 10

331 1. 488 <1

420 1. 451 27

422 1. 324 19

440 1. 147 6

600 1. 081 12

620 1. 026 8

622 0. 978 8

444 . 936 2 640 . 900 7

642 . 867 13

800 . 811 2 820 . 787 16
Antimony Neodymium, NdSb (cubic) Antimony Praseodymium, PrSb (cubic)

Calculated Pattern

Additional published pattern. landelli and

Botti, [9] 1937.

Structural data. landelli and Botti [9] in 1937

determined that antimony neodymium is isomorphous with sodium chloride with the space group

01—Fm3m (No. 225) and 4(NdSb) per unit cell. The atoms occupy the special positions:

Calculated Pattern

Additional published pattern. landelli and

Botti [8] 1937.

Structural data. landelli and Botti [8] in 1937

determined that antimony praseodymium is isomorphous with sodium chloride with the space

group O^—Fm3m (No. 225) and 4(PrSb) per unit

cell. The atoms occupy the special positions:

Nd: 0 0 0

Sb: 111 2 2 2-

Lattice constants

A

1937 landelli and Botti [9] - _ 6. 322

1963 Kuz'min and Nikitina [32] 6. 32

The lattice constant used in this calculated

pattern is a= 6.322 a. No temperature correction was included.

The calculated (f-values of the three strongest

lines are 3.16, 2.24, and 1.414 a. The calculated density is 6.992 g/cm^.

Pr: 0 0 0

Sb: J i ^.

Lattice constants

A

1937 landelli and Botti [8] 6. 366

1963 Kuz'min and Nikitina [32] 6. 37

The lattice constant used in this calculated

pattern is a= 6.366 a. No temperature correcticn was included.

The calculated (Z-values of the three strongest

lines are 3.18, 2.25, and 1.423 a. The calculated density is 6.762 g/cm^.

Calculated Pattern

Copper X

Calculated Pattern

hkl d

Peak

height

I

A

111 3. 65 1 200 3. 16 100

220 2. 24 69

311 1. 906 <1

222 1. 825 23

400 1. 580 10

331 1. 450 <1

420 1. 414 26

422 1. 290 19

511 1. 217 <1

440 1. 118 6

531 1. 069 <1

600 1. 054 12

620 1. 000 9

533 0. 964 <1

622 953 8

444 912 3

711 885 <1

640 877 7 642 845 15

731 823 <1

800 790 2

Copper X

Peak

height

hkl d

I

A

111 3. 68 1 200 3. 18 100

220 2. 25 69

311 1. 919 <1

222 1. 838 23

400 1. 592 10

331 1. 460 <1

420 1. 423 26

422 1. 299 19

511 1. 225 <1

440 1. 125 6

531 1. 076 <1

600 1. 061 12

620 1. 007 9

533 0. 971 <1

622 . 960 8

444 . 919 3

711 . 891 <1

640 . 883 7 642 . 851 14

731 . 829 <1

800 . 796 2

43
Antimony Scandium, SbSc (cubic) Antimony Thorium, SbTh (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that antimony

scandium is isomorphous with sodium chloride

with the space group Oh—^FmSm (No. 225) and

4(SbSc) per unit cell. The atoms occupy the

special positions:

Sb: 0 0 0

2 2 2-

Brixner [30] reports the lattice constant

a=5.859 A. No temperature correction was included.

The calculated rf-values of the three strongest

lines are 2.93, 2.07, and 3.38 A. The density of antimony scandium calculated

from the constant of Brixner is 5.505 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 38 39

200 2. 93 100

220 2. 07 65

311 1. 767 16

222 1. 691 21

400 1. 465 9

331 1. 344 6

420 1. 310 23

422 1. 196 16

511 1. 128 4

440 1. 036 5

531 0. 990 5

600 . 976 12

620 . 926 9

533 . 893 2

622 . 883 8

444 . 846 3

711 . 820 4

640 . 812 9

642 . 783 21

Calculated Pattern

Ferro [22] in 1956 determined that antimony

thorium is isomorphous with sodium chloride with

the space group Oh—Fm3m (No. 225) and

4 (SbTh) per unit cell. The atoms occupy the

special positions:

Sb: 0 0 0

Th: ^ ^

Ferro [22] reports the lattice constant

a =6.318 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.16, 2.23, and 1.413 A. The density of antimony thorium calculated

from the constant of Ferro is 9.317 g/cm^.

Calculated Pattern

Copper X

hkl d

x^eaK

height

/

A

111 3. 65 16

200 3. 16 100

220 2. 23 69

311 1. 905 7 222 1. 824 23

400 1. 580 10

331 1. 449 3 420 1. 413 27

422 1. 290 20

511 1. 216 2

440 1. 117 6

531 1. 068 2 600 1. 053 13

620 0. 999 9

533 963 <1

622 952 9

444 912 3

711 885 2

640 876 8

642 844 16

731 823 3 800 790 2
Antimony Thulium, SbTm (cubic) Antimony Ytterbium, SbYb (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that antimony

thuliimi is isomorphous with sodium chloride

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

4 (SbTm) per unit cell. The atoms occupy the

special positions:

Sb: 0 0 0

Tm: i i i

Brixner [30] reports the lattice constant

a=6.083 A. No temperature correction was included.

The calculated cJ-values of the three strongest

lines are 3.04, 2.15, and 1.360 A. The density of antimony thuhum calculated

from the constant of Brixner is 8.577 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 51 5 200 3. 04 100

220 2. 15 68

311 1. 834 2

222 1. 756 22

400 1. 521 10

331 1. 396 <1

420 1. 360 26

422 1. 242 18

511 1. 171 <1

440 1. 075 6

531 1. 028 <1

600 1. 014 13

620 0. 962 9

533 . 928 <1

622 . 917 9

444 . 878 3

711 . 852 <1

640 . 844 9

642 . 813 17

731 . 792 <1

Calculated Pattern

Brixner [30] in 1960 determined that antimony

ytterbium is isomorphous with sodium chloride

with the space group Ob—Fm3m (No. 225) and

4 (SbYb) per unit cell. The atoms occupy the

special positions:

Sb: 0 0 0

Yb: f I f.

Brixner [30] reports the lattice constant

a=5.922 A. No temperature correction was included.

The calculated tZ-values of the three strongest

lines are 2.96, 2.09, and 1.324 a. The density of antimony ytterbium calculated

from the constant of Brixner is 9.427 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 42 6

200 2. 96 100

220 2. 09 68

311 1. 786 2

222 1. 710 22

400 1. 480 10

331 1. 359 <1

420 1. 324 26

422 1. 209 19

511 1. 140 <1

440 1. 047 6

531 1. 001 <1

600 0. 987 13

620 . 936 10

533 . 903 <1

622 . 893 9

444 . 855 3

711 . 829 <1

640 . 821 9

642 . 791 21
Antimony Yttrium, SbY (cubic) Bismuth Cerium, BiCe (cubic)

Calculated Pattern

Domange, Flahaut, Guittard and Loriers [27]

in 1958 determined that antimony yttrium is isomorphous with sodium chloride with the space

group O^—Fm3m (No. 225) and 4 (SbY) per unit

cell. The atoms occupy the special positions:

Sb: 0 0 0 Yi 1 1

2 ^ ^• Brixner [30] reports the lattice constant

a=6.163A.

No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.08, 2.18, and 1.378 a. The density of antimony yttrium calculated

from the constant of Brixner is 5.977 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 56 4

200 3. 08 100

220 2. 18 67

311 1. 858 2 222 1. 779 2

400 1. 541 10

331 1. 414 <1

420 1. 378 25

422 1. 258 18

511 1. 186 <1

440 1. 089 5 531 1. 042 <1

600 1. 027 12

620 0. 974 8

553 . 940 <1

622 . 929 8

444 . 890 2 711 . 863 <1

640 . 855 8

642 . 824 15

731 . 802 <1

Calculated Pattern

Additional published pattern. landelli and

Botti, [10] 1937.

Structural data. landelli and Botti [10] in

1937 determined that bismuth cerium is isomorphous with sodium chloride with the space group

O^—Fm3m (No. 225) and 4(BiCe) per unit cell. The atoms occupy the special positions:

Bi: 0 0 0

Ce: ^ § ^.

The lattice constant used in this calculated

pattern is a= 6.500 1, as reported by landelli

and Botti [10].

No temperature correction was included.

The calculated dl-values of the three strongest

lines are 3.25, 2.30, and 1.453 a. The calculated density is 8.443 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 75 7

200 3. 25 100

220 2. 30 71

311 1. 960 3

222 1. 876 24

400 1. 625 11 331 1. 491 1 420 1. 453 28

422 1. 327 20

511 1. 251 <1

440 1. 149 6

531 1. 099 <1

600 1. 083 13

620 1. 028 9

533 0. 991 <1

622 . 980 8

444 . 938 3

71] . 910 <1

640 . 901 7 642 . 869 15

731 . 846 1 800 . 812 2 733 . 794 <1

820 . 788 17
Bismuth Dysprosium, BiDy (cubic)

Calculated Pattern

Structural data. Kuz'min and Nikitina [32] in

1963 determined that bismuth dysprosium is isomorphous with sodium chloride with the space

group O^—Fm3m (No. 225) and 4 (BiDy) per unit

cell. The atoms occupy the special positions:

Bi: 0 0 0

Dy: h * h

The lattice constant used in this calculated

pattern is a=6.20 a, as reported by Kuz'min and

Nikitina [32].

No temperature correction was included.

The calculated oJ-values of the three strongest

lines are 3.10, 2.19, and 1.39 a. The calculated density is 10.35 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 58 3

200 3. 10 100

220 2. 19 70

311 1. 87 1 222 1. 79 23

400 1. 55 10

331 1. 42 <1

420 1. 39 28

422 1. 27 20

511 1. 19 <1

440 1. 10 6

531 1. 05 <1

600 1. 03 13

620 0. 980 10

533 . 945 <1

622 . 935 9

444 . 895 3

711 . 868 <1

640 . 860 8

642 . 829 17

731 . 807 <1

Bismuth Erbium, BiEr (cubic)

Calculated Pattern

Structural data. Kuz'min and Nikitina [32] in

1963 determined that bismuth erbium is isomorphous with sodium chloride with the space group

O^—Fm3m (No. 225) and 4 (BiEr) per unit cell. The atoms occupy the special positions:

Bi: 0 0 0

Er: i i i

The lattice constant used in this calculated

pattern is a=6.22 a, as reported by Kuz'min and

Nikitina [32].

No temperature correction was included.

The calculated d-values of the three strongest

lines are 3.11, 2.20, and 1.39 a. The calculated density is 10.38 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3.59 2

200 3. 11 100

220 2. 20 70

311 1. 88 1 222 1. 80 23

400 1. 56 10

331 1. 43 <1

420 1. 39 28

422 1. 27 20

511 1. 20 <1

440 1. 10 6

531 1. 05 <1

600 1. 04 13

620 0. 983 10

533 . 949 <1

622 . 938 9

444 . 898 3

711 . 871 <1

640 . 863 9

642 . 831 18

731 . 810 <1
Bismuth Holmium, BiHo (cubic) Bismuth Lanthanum, BiLa (cubic)

Calculated Pattern

Additional published pattern. Bruzzone [31]

1961.

Structural data. Bruzzone [31] in 1961 determined tliat bismutti tiolmium is isomorphous

with sodium cUoride with the space group

Og—FmSm (No. 225) and 4 (BiHo) per unit

cell. The atoms occupy the special positions:

Bi: 0 0 0

Ho: 111

Lattice constants

A

1961 Bruzzone [31] _ _ a 228

1963 Kuz'min and Nikitina [32] 6. 23

The lattice constant used in this calculated

pattern is a= 6.228 a. No temperature correction was included.

The calculated d-values of the three strongest

lines are 3.11, 2.20, and 1.393 a. The calculated density is 10.280 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 60 2 200 3. 11 100

220 2. 20 70

311 1. 878 1 222 1. 798 24

400 1. 557 10

331 1. 429 <1

420 1. 393 28

422 1. 271 20

511 1. 199 <1

440 1. 101 6

531 1. 053 <1

600 1. 038 13

620 0. 985 10

533 . 950 <1

622 . 939 9

444 . 899 3 711 . 872 <1

640 . 864 8

642 . 832 17

731 . 811 <1

Calculated Pattern

Additional published pattern. landelli and

Botti [10] 1937.

Structural data. landelli and Botti [10] in

1937 determined that bismuth lanthanum is isomorphous with sodium chloride with the space

group O^—Fm3m (No. 225) and 4 (BiLa) per

unit cell. The atoms occupy the special positions:

Bi: 0 0 0

T.a- 1 1 1

Lattice constants

A

1937 landelli and Botti [10] 6. 578

1963 Kuz'min and Nikitina [32] _ 6. 58

The lattice constant used in this calculated

pattern is a= 6.578 a. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.29, 2.33, and 1.471 a. The calculated density is 8.118 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 80 7 200 3. 29 100

220 2. 33 72

311 1. 983 3

222 1. 899 24

400 1. 644 11 331 1. 509 1 420 1. 471 29

422 1. 343 21

511 1. 266 1

440 1. 163 6

531 1. 112 1 600 1. 096 13

620 1. 040 9

533 1. 003 <1

622 0. 992 8

444 . 949 3

711 . 921 <1

640 . 912 7 642 . 879 14

731 . 856 1 800 . 822 2 733 . 804 <1

820 . 798 16

48
Bismuth Neodymium, BiNd (cubic) Bismuth Praseodymium, BiPr (cubic)

Calculated Pattern

Structural data. landelli [23] in 1956 determined that bismuth neodymium is isomorphous

with sodiiun chloride with the space group

Og—Fm3m (No. 225) and 4 (BiNd) per unit cell. The atoms occupy the special positions:

Bi: 0 0 0

Nd: ^ i i

Lattice constants

A

1956 landelli [23] 6. 434

1963 Kuz'min and Nikitina [32] _ 6. 42

The lattice constant used in this calculated

pattern is (i= 6.424 a. No temperature correction was included.

The calculated rf-values of the three strongest

lines are 3.21, 2.27, and 1.436 a. The calculated density is 8.849 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 71 6

200 3. 21 100

220 2. 27 70

311 1. 937 3

222 1. 854 24

400 1. 606 11 331 1. 474 1 420 1. 436 28

422 1. 311 20

511 1. 236 <1

440 1. 136 6

531 1. 086 <1

600 1. 071 13

620 1. 016 9

533 0. 980 <1

622 . 968 8

444 . 927 3

711 . 900 <1

640 . 891 8

642 . 858 15

731 . 836 <1

800 . 803 2

733 . 785 <1

Calculated Pattern

Additional published pattern. landelH and Botti

[10] 1937.

Structural data. landelli and Botti [10] in

1937 determined that bismuth praseodymium is isomorphous with sodium chloride with the space

group O^—Fm3m (No. 225) and 4(BiPr) per unit

cell. The atoms occupy the special positions:

Bi: 0 0 0

Pr- 111* i^r. ^22

Lattice constants

A

1937 landelli and Botti [10] 6. 461

1963 Kuz'min and Nikitina [32] 6. 46

The lattice constant used in this calculated

pattern is a=6.461 a. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.23, 2.28, and 1.445 a. The calculated density is 8.616 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 73 6

200 3. 23 100

220 2. 28 71

311 1. 948 3

222 1. 865 24

400 1. 615 11 331 1. 482 1 420 1. 445 28

422 1. 319 20

511 1. 243 <1

440 1. 142 6

531 1. 092 <1

600 1. 077 13

620 1. 022 9

533 0. 985 <1

622 . 974 8

444 . 933 3

711 . 905 <1

640 . 896 8

642 . 863 15

731 . 841 <1

800 . 808 2

733 . 789 <1

820 . 784 18
Bismuth Telluride, BiTe (cubic) Calcium Telluride, CaTe (cubic)

Calculated Pattern

Semiletov [18] in 1954 determined that bismuth

telluride is isomorphous with sodium chloride

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

4 (BiTe) per unit cell. The atoms occupy the

special positions:

Bi: 0 0 0

Tp- a i i it;. 2 2 2-

Semiletov [18] reports the lattice constant

a=6.47 A. No temperature correction was included.

The calculated c?-values of the three strongest

Unes are 3.24, 2.29, and 1.45 a. The density of bismuth teUuride calculated

from the constant of Semiletov is 8.25 g/cm^.

Calculated Pattern

Copper X

hkl d

IlclgllL

/

A

111 3. 74 11 200 3. 24 100

220 2. 29 70

311 1. 95 5

222 1. 87 24

400 1. 62 11 331 1. 48 2

420 1. 45 28

422 1. 32 20

511 1. 25 1

440 1. 14 6

531 1. 10 2

600 1. 08 13

620 1. 02 9

533 0. 987 <1

622 .975 8

444 . 934 3

711 . 906 1 640 . 897 7

642 . 865 15

731 . 842 2

800 . 809 2

733 . 790 <1

820 . 785 17

Calculated Pattern

Additional published pattern. Oftedal [2] 1927.

Structural data. Oftedal [2] in 1927 determined

that calcium teUuride is isomorphous with sodium

chloride with the space group O®—FmSm (No. 225)

and 4 (CaTe) per unit cell. The atoms occupy the

special positions:

Ca: 0 0 0

Te: i I ILattice constants

A

1927 Oftedal [2] 6. 358

1939 Senflf and Rlemm [12] 6. 354

The lattice constant used in this calcvdated

pattern is the average value a=6.356 a. No temperatm-e correction was included.

The calculated (Z-values of the three strongest

lines are 3.18, 2.25, and 3.67 a. The calculated density is 4.337 g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 67 46

200 3. 18 100

220 2. 25 68

311 1. 917 20

222 1. 835 22

400 1. 590 10

331 1. 459 7

420 1. 422 25

422 1. 298 17

511 1. 224 5

440 1. 124 5

531 1. 075 5

600 1. 060 11 620 1. 005 8

533 0. 970 2

622 . 958 7

444 . 918 2

711 .890 4

640 . 882 7

642 . 850 13

731 . 828 6

800 . 795 2
Cerium Arsenide, CeAs (cubic) Cerium Nitride, CeN (cubic)

Calculated Pattern

Additional published pattern. landelli and

Botti [8] 1937.

Structural data. landelli and Botti [8] in 1937

determined that cerium arsenide is isomorphous

with sodium chloride with the space group

Fm3m (No. 225) and 4 (CeAs) per unit cell. The atoms occupy the special positions:

Ce: 0 0 0

Aq- ill.

The lattice constant used in this calculated

pattern is a= 6.072 A, as reported by landelli and

Botti [8]. No temperature correction was included.

The calculated (i-values of the three strongest

lines are 3.04, 2.15, and 1.358 a. The calculated density is 6.380 g/cm*.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 61 17

200 3. 04 100

220 2. 15 67

311 1. 831 7 222 1. 753 22

400 1. 518 9

331 1. 393 3

420 1. 358 25

422 1. 239 17

511 1. 169 2

440 1.073 6

531 1.026 2

600 1.012 12

620 0. 960 9

533 . 926 <1

622 . 915 8

444 . 876 3

711 . 850 2

640 . 842 8

642 . 811 16

731 . 791 3

Calculated Pattern

Additional published pattern. landelli and

Botti [7] 1937.

Structural data. landelli and Botti [7] in 1937

determined that cerium nitride is isomorphous

with sodium chloride with the space group

Og—Fm3m (No. 225) and 4 (CeN) per unit cell. The atoms occupy the special positions:

Ce: 0 0 0 Ni 1 1

• ^ ^ The lattice constant used in this calculated

pattern is a= 5.021 1, as reported by landelli and

Botti [7]. No temperature correction was included.

The calculated (f-values of the three strongest

lines are 2.90, 2.51, and 1.775 a. The calculated density is 8.087 g/cm*.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 90 100

200 2. 51 72

220 1. 775 44

311 1. 514 35

222 1. 449 13

400 1. 255 6

331 1. 152 13

420 1. 123 16

422 1. 025 12

511 0. 966 11

440 . 888 5

531 . 849 16

600 . 837 13

620 . 794 11
Cerium Phosphide, CeP (cubic) Cobalt Iodide, C0I2 (hexagonal)

Calculated Pattern

Additional published pattern. landelli and

Botti [6] 1937.

Structural data. landelli and Botti [6] in 1937

determined that cerium phosphide is isomorphous

with sodium chloride with the space group

Og—Fm3m (No. 225) and 4 (CeP) per unit cell. The atoms occupy the special positions:

Ce: 0 0 0 Pill • ^ ? ^•

The lattice constant used in this calculated

pattern is a= 5.909 a, as reported by landelli and

Botti [6]. No temperature correction was included.

The calculated (^-values of the three strongest

lines are 2.95, 3.41, and 209 a. The calculated density is 5.508 g/cm'.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 41 78

200 2. 95 100

220 2. 09 66

311 1. 782 32

222 1. 706 21

400 1. 477 9

331 1. 356 11 420 1. 321 24

422 1. 206 18

511 1. 137 8

440 1. 045 6

531 0. 999 9

600 . 985 13

620 . 934 9

533 . 901 4

622 . 891 9

444 . 853 3

711 . 827 8

640 . 819 9

642 . 790 20

Calculated Pattern

Ferrari and Giorgi [4] in 1929 determined that

cobalt iodide is isomorphous with cadmium iodide

with the space group Did—P3ml (No. 164) and

l(Col2) per unit cell. The atoms occupy the

special positions:

Co: 0 0 0

I: i f f i ^ with 'M= 0.25.

Ferrari and Giorgi [4] report the lattice constants a=3.97 A and c=6.66 a. No temperature correction was included.

The calculated rf-values of the three strongest

lines are 3.06, 2.39 and 1.98 a. The density of cobalt iodide calculated from the

constants of Ferrari and Giorgi is 5.712 g/cm'.

Calculated Pattern

Copper X

hkl d

Peak

height

/

001 6.'66 9

100 3. 44 6

002 3. 33 15

101 3. 06 100

102 2. 39 32

003 2. 22 <1

110 1. 98 24

111 1. 90 2

103 1. 86 20

200 1. 72 <1

112 1. 71 10

004, 201 1. 66 17

202 1. 53 6

104 1. 50 <1

113 1. 48 <1

203 1. 36 6

005 1. 33 <1

210 1. 30 <1

114, 211 1. 28 19

105 1. 24 4

212 1. 21 5

204 1. 20 <1

300 1. 15 3

301 1. 13 <1

213 1. 12 6

115, 006 1. 11 <1

302 1. 08 2
Dysprosium Arsenide, DyAs (cubic) Dysprosium Nitride, DyN (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that dysprosium

arsenide is isomorphous with sodium chloride

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

4 (DyAs) per unit cell. The atoms occupy the

special positions:

Dy: 0 0 0

As: i ^ i

Brixner [30] reports the lattice constant

a=5.780 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.89, 2.04, and 3.34 a. The density of dysprosium arsenide calculated

from the constant of Brixner is 8.166 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 34 25

200 2. 89 100

220 2. 04 65

311 1. 743 10

222 1. 669 21

400 1. 445 9

331 1. 326 4

420 1. 292 24

422 1. 180 17

511 1. 112 3

440 1. 022 6

531 0. 977 3

600 . 963 13

620 . 914 10

583 . 881 1

622 . 871 9

444 . 834 3

711 . 809 3

640 . 802 10

Calculated Pattern

Klemm and Winkehnann [24] in 1956 determined that dysprosium nitride is isomorphous

with sodium chloride with the space group

O^—Fm3m (No. 225) and 4 (DyN) per unit cell. The atoms occupy the special positions:

Dy: 0 0 0

• 2 2 2- Klemm and Winkehnann [24] report the lattice

constant a=4.905 a. No temperature correction was included.-

The calculated (^-values of the three strongest

Unes are 2.83, 2.45, and 1.734 a. The density of dysprosium nitride calculated

from the constant of Klemm and Winkelmann is 9.934 g/cml

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 83 100

200 2. 45 69

220 1. 734 42

311 1. 479 36

222 1. 416 13

400 1. 226 6

331 1. 125 13

420 1. 097 16

422 1. 001 13

511 0. 944 12

440 . 867 5

531 . 829 18

600 . 818 14
Dysprosium Telluride, DyTe (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that dysprosium

telluride is isomorphous with sodium chloride

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

4 (DyTe) per unit cell. The atoms occupy the

special positions:

Dy: 0 0 0

To- le. 111 ^ ^ 2-

Brixner [30] reports the lattice constant

a= 6.092 A. No temperature correction was included.

The calculated (i-values of the three strongest

lines are 3.05, 2.15, and 1.362 a. The density of dysprosium telluride calculated

from the constant of Brixner is 8.522 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 52 3

200 3. 05 100

220 2. 15 68

311 1. 837 1 222 1. 759 22

400 1. 523 10

331 1. 398 <1

420 1. 362 26

422 1. 244 18

511 1. 172 <1

440 1. 077 6

531 1. 030 <1

600 1. 015 12

620 0. 963 9

533 . 929 <1

622 . 918 9

444 . 879 3

711 . 853 <1

640 . 845 8

642 . 814 18

731 . 793 <1

Erbium Arsenide, ErAs (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that erbium

arsenide is isomorphous with sodium chloride with

the space group Oh—Fm3m (No. 225) and

4 (ErAs) per unit cell. The atoms occupy the

special positions:

Er: 0 0 0

As: i h h

Brixner [30] reports the lattice constant

a =5.732 A. No temperature correction was included.

The calculated rf-values of the three strongest

lines are 2.87, 2.03, and 3.31 a. The density of erbium arsenide calculated from

the constant of Brixner is 8.541 g/cm'.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 31 27

200 2. 87 100

220 2. 03 66

311 1. 728 11 222 1. 655 21

400 1. 433 9

331 1. 315 4

420 1. 282 24

422 1. 170 18

511 1. 103 3

440 1. 013 6

531 0. 969 4

600 . 955 13

620 . 906 10

533 . 874 2

622 . 864 10

444 . 827 3

711 . 803 4

640 . 795 11
Erbium Nitride, ErN (cubic) Erbium Telluride, Erie (cubic)

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that erbium nitride is isomorphous

with sodium chloride with the space group

Og—Fm3m (No. 225) and 4(ErN) per unit cell. The atoms occupy the special positions:

Er: 0 0 0 Ni 1 1

• ^ ^ ^• Klemm and Winkelmann [24] report the lattice

constant a=4.839 a. No temperature correction was included.

The calculated cZ-values of the three strongest

lines are 2.79, 2.42, and 1.711 1.

The density of erbium nitride calculated from

the constant of Klemm and Winkelmann is 10.63

g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 79 100

200 2. 42 68

220 1. 711 41

311 1. 459 35

222 1. 397 13

400 1. 210 6

331 1. 110 14

420 1. 082 16

422 0. 988 13

511 . 931 13

440 . 855 6

531 . 818 19

600 . 806 15

Calculated Pattern

Brixner [30] in 1960 determined that erbium

teUuride is isomorphous with sodium chloride

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

4(ErTe) per unit cell. The atoms occupy the

special positions:

Er: 0 0 0

Te: \ \ \-

Brixner [30] reports the lattice constant

0=6.0631.

No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.03, 2.14, and 1.356 a. The density of erbivmi teUuride calculated from

the constant of Brixner is 8.787 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 50 4

200 3. 03 100

220 2. 14 68

311 1. 828 2

222 1. 750 23

400 1. 516 10

331 1. 391 <1

420 1. 356 26

422 1. 238 18

511 1. 167 <1

440 1. 072 6

531 1. 025 <1

600 1. 010 13

620 0. 959 9

533 . 925 <1

622 . 914 9

444 . 875 3

711 . 849 <1

640 . 841 8

642 . 810 18

731 . 789 <1
Europium Nitride, EuN (cubic) Europium Oxide, EuO (cubic)

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that europium nitride is isomorphous with

sodium chloride with the space group Oh—Fm3m

(No. 225) and 4 (EuN) per unit cell. The atoms

occupy the special positions:

Eu: 0 0 0

N- i i 1 i> . 2 2 2- Klemm and Winkelmann [24] report the lattice

constant a= 5.014 a. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.89, 2.51, and 1.773 A. The density of europium nitride calculated from

the constant of Klemm and Winkelmann is 8.745 g/cml

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 89 100

200 2. 51 69

220 1. 773 43

311 1. 512 36

222 1. 447 33

400 1. 254 6

331 1. 150 13

420 1. 121 16

422 1. 023 12

511 0. 965 12

440 . 886 5

531 . 848 16

600 . 836 13

620 . 793 11

Calculated Pattern

Structural data. Eick, Baenziger, and Eyring

[21] in 1956 determined that europimn oxide is isomorphous with sodiiun chloride with the space

group Og—FmSm (No. 225) and 4 (EuO) per

unit cell. Atoms occupy the special positions:

Eu: 000

0 111

^ 2 ^•

The lattice constant used in this calculated

pattern is a=5.1439 a, as reported by Eick,

Baenziger, and Eyring [21].

No temperature correction was included.

The calcvdated (^-values of the three strongest

Unes are 2.970, 2.572, and 1.819 a. The calculated density is 8.196 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 970 100

200 2. 572 77

220 1. 819 47

311 1. 551 37

222 1. 485 15

400 1. 286 6

331 1. 180 14

420 1. 150 17

422 1. 050 13

511 0. 990 12

440 . 909 5

531 . 869 16

600 . 857 12

620 . 813 11 533 . 784 9
Gadolinium Arsenide, GdAs (cubic) Gadolinium Nitride, GdN (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that gadolinium

arsenide is isomorphous with sodium chloride

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

4 (GdAs) per unit cell. The atoms occupy the

special positions:

Gd: 0 0 0

As: Mi

Brixner [30] reports the lattice constant

a=5.854 1.

No temperatiu-e correction was included.

The calculated c^-values of the three strongest

lines are 2.93, 2.07, and 1.309 1.

The density of gadolinium arsenide calculated

from the constant of Brixner is 7.687 g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 38 23

200 2. 93 100

220 2. 07 66

311 1. 765 9

222 1. 690 21

400 1. 464 9

331 1. 343 4

420 1. 309 25

422 1. 195 17

511 1. 127 3

440 1. 035 6

531 0. 990 3

600 . 976 13

620 . 926 9

533 . 893 1

622 . 883 9

444 . 845 3

711 . 820 3

640 . 812 9

642 . 782 22

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that gadolinium nitride is isomorphous

with sodium chloride with the space group

O^—Fm3m (No. 225) and 4 (GdN) per unit cell. The atoms occupy the special positions:

Gd: 0 0 0

N: ^ Klemm and Winkelmann [24] report the lattice

constant a=4.999 1.

No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.89, 2.50, and 1.767 a. The density of gadolinium nitride calculated

from the constant of Klemm and Winkelmann is 9.105 g/cm\

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 2. 89 100

200 2. 50 69

220 1. 767 42

311 1. 507 35

222 1. 443 13

400 1. 250 6

331 1. 147 13

420 1. 118 16

422 1. 020 12

511 0. 962 12

440 . 884 5

531 . 845 16

600 . 833 13

620 . 790 11
Germanium Iodide, Gel2 (hexagonal) Holmium Nitride, HoN (cubic)

Calculated Pattern

Powell and Brewer [11] in 1938 determined that

^ermaniiim iodide is isomorphous with cadmium

iodide with the space group D|i—Psml (No. 164)

and UGelz) per imit cell. The atoms occupy the

special positions:

Ge: 0 0 0

I: f f ^; f i ^ with w=0.25.

PoweU and Brewer [11] report the lattice constants a=4.14 A and c=6.80 a. No temperature correction was included.

The calculated (Z-values of the three strongest

lines are 3.17, 2.47, and 2.07 a. The density of germaniiun iodide calculated

from the constants of Powell and Brewer is 5.369 g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

/

001

A

6. 80 12

100 3. 59 4

002 3. 40 12

101 3. 17 100

102 2, 47 35

003 2. 27 <1

110 2. 07 26

111 1. 98 2

103 1. 92 20

200 1. 79 <1

112 1. 77 9

201 1. 73 14

004 1. 70 4

202 1. 59 8

104 1. 54 <1

113 1. 53 <1

203 1. 41 6

005, 210 1. 36 <1

211 1. 33 10

114 1. 31 10

105 1. 27 4

212 1. 26 6

204 1. 23 <1

300 1. 20 3

301 1. 18 <1

213 1. 16 6

115 1. 14 <1

006, 302 1. 13 2

205, 106 1. 08 5

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined

that holmium nitride is isomorphous with sodium

chloride with the space group Oh—J^3m (No. 225)

and 4 (HoN) per unit cell. The atoms occupy the

special positions:

Ho: 0 0 0

N: i M.

Klemm and Winkelmann [24] report the lattice

constant a=4.874 1.

No temperature correction was included.

The calculated (^-values of the three strongest

lines are 2.81, 2.44, and 1.723 A. The density of holmiiun nitride calculated from

the constant of Klemm and Winkehnann is 10.26

g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 81 100

200 2. 44 68

220 1. 723 41

311 1. 470 35

222 1. 407 13

400 1. 218 6

331 1. 118 14

420 1. 090 16

422 0. 995 12

511 . 938 12

440 . 862 5 531 . 824 18

600 . 812 14
Holmium Selenide, HoSe (cubic) Iron Bromide, FeBr2 (hexagonal)

Calculated Pattern

Additional published pattern. Bruzzone [31]

1961.

Structural data. Bruzzone [31] in 1961 determined that holmium selenide is isomorphous

with sodium chloride with the space group

Og—Fm3m (No. 225) and 4(HoSe) per unit cell. The atoms occupy the special positions:

Ho: 0 0 0

Se: h h ^•

The lattice constant used in this calculated

pattern is a= 5.680 a, as reported by Bruzzone

[31]- . . , No temperature correction was included.

The calculated c^-values of the three strongest

Unes are 2.84, 2.01, and 1.270 a. The calculated density is 8.840 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 28 23

200 2. 84 100

220 2. 01 66

311 1. 713 9

222 1. 640 21

400 1. 420 9

331 1. 303 3

420 1. 270 25

422 1. 159 18

511 1. 093 3

440 1. 004 6

531 0. 960 3

600 . 947 14

620 . 898 10

533 . 866 1

622 . 856 10

444 . 820 3

711 . 795 3

640 . 788 11

Calculated Pattern

Ferrari and Giorgi [3] in 1929 determined that

iron bromide is isomorphous with cadmium iodide

with the space group Did—Psml (No. 164) and

l(FeBr2) per unit cell. The atoms occupy the

special positions:

Fe: 0 0 0

Br: I I w; f i u with u=0.25.

Ferrari and Giorgi [3] report the lattice constants a=3.748 A and c=6.183 a. No temperature correction was included.

The calculated c^-values of the three strongest

lines are 2.87, 2.24, and 1.87 a. The density of iron bromide calculated from

the constants of Ferrari and Giorgi is 4.761 g/cm^.

Calculated Pattern

Copper X

HKL a

Jreak

height

I

A

001 6. 18 19

100 3. 25 2

002 3. 09 10

101 2. 87 100

102 2. 24 38

003 2. 06 <1

110 1. 87 25

111 1. 79 3

103 1. 74 18

200 1. 62 <1

112 1. 60 7 201 1. 57 12

004 1. 55 4

202 1. 437 7 104 1. 396 <1

113 1. 387 1 203 1. 275 6

005 1. 237 <1

210 1. 227 <1

211 1. 203 9

114 1. 192 9

105 1. 156 4

212 1. 140 6

204 1. 119 <1

300 1. 082 3
Iron Iodide, Fel2 (hexagonal) Lanthanum Arsenide, LaAs (cubic)

Calculated Pattern

Ferrari and Giorgi [4] in 1929 determined that

iron iodide is isomorphous with cadmium iodide

with the space group D|d—P3ml (No. 164) and

l(Fel2) per unit cell. The atoms occupy the

special positions:

Fe: 0 0 0

I: if'i^jfi^ with 1^=0.25.

Ferrari and Giorgi [4] report the lattice constants a=4.05 A and c=6.76 a. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.11, 2.43, and 2.02 a. The density of iron iodide calculated from the

constants of Ferrari and Giorgi is 5.354 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

0. / 0

Qo 100 3. 51 6

002 3. 38 15

101 3. 11 100

102 2. 43 32

003 2. 25 <1

110 2. 02 24

111 1. 94 1 103 1. 90 20

200 1. 75 <1

112 1. 74 11 201 1. 70 14

004 1. 69 4

202 1. 56 6

104 1. 52 <1

113 1. 51 <1

203 1. 38 6

210 1. 33 <1

211, 114 1. 30 19

105 1. 26 4

212 1. 23 5

204 1. 22 <1

300 1. 17 3

301 1. 15 <1

213 1. 14 6

006 1. 13 <1

115 1. 12 <1

302 1. 10 2

Calculated Pattern

Additional published pattern. landelU and

Botti [8] 1937.

Structural data. landelli and Botti [8] in 1937

determined that lanthanum arsenide is isomorphous with sodium chloride with the space group

Og—Fm3m (No. 225) and 4 (LaAs) per unit cell. The atoms occupy the special positions:

La: 0 0 0

Ac- 111 2 2 2*

The lattice constant used in this calculated

pattern is a=6.137 a, as reported by landelli

and Botti [8]. No temperature correction was included.

The calculated 6?-values of the three strongest

lines are 3.07, 2.17, and 1.372 1.

The calculated density is 6.144 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 54 15

200 3. 07 100

220 2. 17 67

311 1. 850 7

222 1. 772 22

400 1. 534 10

331 1. 408 3

420 1. 372 25

422 1. 253 18

511 1. 181 2

440 1. 085 5 531 1. 037 2

600 1. 023 12

620 0. 970 9

533 . 936 <1

622 . 925 8

444 . 886 3

711 . 859 2

640 . 851 8

642 . 820 16

731 . 799 3
Lanthanum Nitride, LaN (cubic)

Calculated Pattern

Additional published patterns. landelli and

Botti [7] 1937, and Young and Ziegler [15] 1952.

Structural data. landelli and Botti [7] in 1937

determined that lanthanum nitride is isomorphous

with sodium chloride with the space group

Oh—Fm3m (No. 225) and 4 (LaN) per unit cell. The atoms occupy the special positions:

La: 0 0 0

N: ^ I i

Lattice constants

A

1937 landelli and Botti [7] 5. 286

1952 Young and Ziegler [15] 5. 295

1956 Klemm and Winkelmann [24] 5. 30

1963 Lyutaya and Samsonov [33] 5. 302

The lattice constant used in this calculated

pattern is the average value a = 5.30 a. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.06, 2.65, and 1.87 a. The calculated density is 6.822 g/cm'.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 06 100

200 2. 65 74

220 1. 87 46

311 1. 60 37

222 1. 53 14

400 1. 32 6

331 1. 22 14

420 1. 19 16

422 1. 08 12

511 1. 02 11

440 0. 937 5

531 . 896 14

600 . 883 11 620 . 838 p 533 . 808 7

622 . 799 10

Lanthanum Selenide, LaSe (cubic)

Calculated Pattern

Structural data. landelli [20] in 1955 determined that lanthanum selenide is isomorphous

with sodium chloride with the space group

O^—Fm3m (No. 225) and 4(LaSe) per unit

cell. The atoms occupy the special positions:

La: 0 0 0

"JC. 111 2 2 2-

Lattice conhtants

A

1955 landelli [20] 6. 063

1959 Guittard and Benacerraf [28] 6. 060

The lattice constant used in this calculated

pattern is the average value a= 6.062 a. No temperature correction was included.

The calculated (/-values of the three strongest

lines are 3.03, 2.14, and 1.356 a. The calculated density is 6.496 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 50 14

200 3. 03 100

220 2. 14 68

311 1. 828 6

222 1. 750 22

400 1. 516 10

331 1. 391 2

420 1. 356 25

422 1. 238 18

511 1. 167 1

440 1. 072 6

531 1. 025 2

600 1. 010 12

620 0. 959 9

533 . 925 <1

622 . 914 8

444 . 875 3

711 . 849 1 640 . 841 8

642 . 810 17

731 . 789 2
Lutetium Nitride, LuN (cubic) Magnesium Bromide, MgBr2 (hexagonal)

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that lutetium nitride is isomorphous with

sodium chloride with the space group Oh—Fm3m

(No. 225) and 4 (LuN) per unit cell. The atoms

occupy the special positions:

Lu: 0 0 0

. 2 2 2- Klemm and Winkelmann [24] report the lattice

constant a =4.766 a. No temperature correction was included.

The calculated d-values of the three strongest

lines are 2.75, 2.38, and 1.685 a. The density of lutetiima nitride calculated from

the constant of Klemm and Winkelmann is 11.59

g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 75 100

200 2. 38 67

320 1. 685 40

311 1. 437 35

222 1. 376 12

400 1. 192 5 331 1. 093 14

420 1. 066 16

422 0. 973 13

511 . 917 13

440 . 843 6

531 . 806 20

600 . 794 16

Calculated Pattern

Ferrari and Giorgi [3] in 1929 determined that

magnesium bromide is isomorphous with_cadmium

iodide with the space group Dfa—P3ml (No.

164) and l(MgBr2) per unit cell. The atoms

occupy the special positions:

Mg: 0 0 0

Br: ifw; f vnthu—0.25.

Ferrari and Giorgi [3] report the lattice constants a =3.822 A and c=6.269 a. No temperature correction was included.

The calculated (^-values of the three strongest

lines are 2.93, 2.28, and 1.91 a. The density of magnesium bromide calculated

from the constants of Ferrari and Giorgi is 3.855

g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

001 6. 27 4

100 3. 31 11

002 3. 13 19

101 2. 93 100

102 2. 28 25

003 2. 09 <1

110 1. 91 21

111 1. 83 <1

103 1. 77 18

200 1. 65 1

112 1. 63 12

201 1. 60 13

004 1. 57 3

202 1. 464 5 104 1. 416 1

113 1. 410 <1

203 1. 297 6

210 1. 251 <1

211 1. 227 9

114 1. 212 8

105 1. 172 4

212 1. 162 4

204 1. 138 <1

300 1. 103 3
Manganese Bromide, MnBrz (hexagonal) Manganese Iodide, Mnl2 (hexagonal)

Calculated Pattern

Ferrari and Giorgi [3] in 1929 determined that

manganese bromide is isomorphousjwith cadmium

iodide with the space group —^P3ml (No. 164)

and l(MnBr2) per unit cell. The atoms occupy

the special positions:

Mn: 0 0 0

Br: I f ^t; I ^ u with m=0.25.

Ferrari and Giorgi [3] report the lattice constants a=3.828 A and c=6.200 a. No temperature correction was included.

The calculated cZ-values of the three strongest

lines are 2.92, 2.26, and 1.91 a. The density of manganese bromide calculated

from the constants of Ferrari and Giorgi is 4.532

g/cml

Calculated Pattern

Copper X

1. 7 7 hkl a

Peak

height

I

A

001 6. 20 17

100 3. 32 2

002 3. 10 10

101 2. 92 100

102 2. 26 36

003 2. 07 <1

110 1. 91 26

111 1. 83 3

103 1. 75 18

200 1. 66 <1

112 1. 63 7

201 1. 60 13

004 1. 55 4

202 1. 462 7

113, 104 1. 404 1

203 1. 293 6

210 1. 253 <1

005 1. 240 <1

211 1. 228 9

114 1. 205 9

212, 105 1. 162 9

204 1. 132 <1

300 1. 105 3

301 1. 088 <1

Calculated Pattern

Ferrari and Giorgi [4] in 1929 determined that

manganese iodide is isomorphous with cadmium

iodide with the space group Dij—P3ml (No. 164)

and l(Mnl2) per unit cell. The atoms occupy

the special positions:

Mn: 0 0 0

I: i I f i ^ with w=0.25.

Ferrari and Giorgi [4] report the lattice constants a=4.17 A and c=6.83 a. No temperatiu"e correction was included.

The calculated oJ-values of the three strongest

lines are 3.19, 2.48, and 2.08 a. The density of magnanese iodide calculated

from the constants of Ferrari and Giorgi is 4.984

g/cm^.

Calculated Pattern

Copper X

hkl uPeak

height

/

A

001 6. 83 7 100 3. 61 7 002 3. 42 15

101 3. 19 100

102 2. 48 30

003 2. 28 <1

110 2. 08 25

111 1. 99 1 103 1. 93 20

200 1. 81 <1

112 1. 78 12

201 1. 75 14

004 1. 71 4

202 1. 60 6

104, 113 1. 54 1

203 1. 41 6

005, 210 1. 36 <1

211 1. 34 10

114 1. 32 9

105 1. 28 4

212 1. 27 5

204 1. 24 <1

300 1. 20 3

301 1. 19 <1

213 1. 17 6

115, 006, 302 1. 14 2

106, 205 1. 09 3
Neodymium Arsenide, NdAs (cubic) Neptunium Nitride, NpN (cubic)

Calculated Pattern

Additional published pattern. landelli and

Botti [9] 1937.

Structiu-al data. landelli and Botti [9] in 1937

determined that neodymium arsenide is isomorphous with sodium chloride, with the space

group O^—Fm3m (No. 225) and 4 (NdAs) per

unit cell. The atoms occupy the special positions

Nd: 0 0 0

A<5- ill 2 2 2-

The lattice constant used in this calculated

pattern is (i= 5.970 a, as reported by landelli and

Botti [9]. No temperature correction was included.

The calculated (Z-values of the three strongest

lines are 2.98, 2.11, and 1.335 1.

The calculated density is 6.841 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 45 19

200 2. 98 100

220 2. 11 67

311 1. 800 8

222 1. 723 22

400 1. 492 10

331 1. 370 3

420 1. 335 24

422 1. 219 18

511 1. 149 2

440 1. 055 6

531 1. 009 2

600 0. 995 12

620 . 944 9

533 . 910 1

622 . 900 8

444 . 862 3

711 . 836 2

640 . 828 9

642 . 798 18

Calculated Pattern

Zachariasen [14] in 1949 determined that neptunium nitride is isomorphous with sodium

chloride with the space group 0^—Fm3m (No.

225) and 4 (NpN) per unit cell. The atoms occupy

the special positions:

Np: 0 0 0

N: I i i

Zachariasen [14] reports the lattice constant

a=4.897A.

No temperature correction was included.

The calculated (Z-values of the three strongest

lines are 2.83, 2.45, and 1.731 a. The density of neptunium nitride calculated

from the constant of Zachariasen is 14.20 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 83 100

200 2. 45 62

220 1. 731 39

311 1. 476 36

222 1. 414 12

400 1. 224 5

331 1. 123 14

420 1. 095 15

422 1. 000 12

511 0. 942 13

440 . 866 5 531 . 828 19

600 . 816 14
Plutonium Arsenide, PuAs (cubic) Plutonium Phosphide, PuP (cubic)

Calculated Pattern

Gorum [26] in 1957 determined that plutonium

arsenide is isomorphous with sodium chloride

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

4(PuAs) per unit cell. The atoms occupy the

special positions:

Pu: 0 0 0

As: h h I

Gorum [26] reports the lattice constant

a=5.855 A. No temperatiu-e correction was included.

The calculated (/-values of the three strongest

lines are 2.93, 2.07, and 3.38 a. The density of plutonium arsenide calculated

from the constant of Gorum is 10.487 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 38 50

200 2. 93 100

220 2. 07 68

311 1. 765 21

222 1. 690 23

400 1. 464 10

331 1. 343 8

420 1. 309 26

422 1. 195 19

511 1. 127 6

440 1. 035 6

531 0. 990 7

600 . 976 14

620 . 926 10

533 . 893 3

622 . 883 10

444 . 845 3

711 . 820 6

640 . 812 10

642 . 782 24

Calculated Pattern

Gorum [26] in 1957 determined that plutonium

phosphide is isomorphous with sodium chloride

with the space group Oh—^FmSm (No. 225) and

4 (PuP) per unit ceU. The atoms occupy the

special positions:

Pu: 0 0 0 Pill^ ^ ^.

Goriun [26] reports the lattice constant

a=5.644 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.26, 2.82, and 1.995 a. The density of plutonimn phosphide calculated

from the constant of Gorum is 10.08 g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

I

I

111 3. 26 100

200 2. 82 86

220 1. 995 58

311 1. 702 41

222 1. 629 19

400 1. 411 8

331 1. 295 15

420 1. 262 22

422 1. 152 16

511 1. 086 11

440 0. 998 6

531 . 954 13

600 . 941 13

620 . 892 10

533 . 861 6

622 . 851 10

444 . 815 3

711 . 790 14

640 . 783 12
Plutonium Telluride, PuTe (cubic)

Calculated Pattern

Gonim [26] in 1957 determined that plutonium

telluride is isomerphous with sodiiim chloride

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

4 (PuTe) per unit cell. The atoms occupy the

special positions:

Pu: 0 0 0

T/i- ie. 111 2^2-

Gorum [26] reports the lattice constant

a=6.183 A. No temperature correction was included.

The calculated cJ-values of the three strongest

lines are 3.09, 2.19, and 1.383 a. The density of plutonium telluride calculated

from the constant of Gorum is 10.385 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 57 18

200 3. 09 100

220 2. 19 70

311 1. 864 8

222 1. 785 23

400 1. 546 10

331 1. 418 3

420 1. 383 28

422 1. 262 20

511 1. 190 2

440 1. 093 6

531 1. 045 2 600 1. 030 13

620 0. 978 10

533 . 943 1

622 . 932 9

444 . 892 3

711 . 866 2

640 . 857 9

642 . 826 18

731 . 805 3

Potassium Hydroxide, KOH, at 300 °C

(cubic)

Calculated Pattern

Structural data. Teichert and Klemm [13] in

1939 determined that potassium hydroxide at

300 °C is isomorphous with sodium chloride with

the space group Oh—Fm3m (No. 225) and

4 (KOH) per unit cell. The atoms occupy the

special positions:

K: 0 0 0

O. Ill •22^

H: undefined.

The lattice constant used in this calcvdated pattern is a=5.79 a, as reported by Teichert and

Klemm [13].

No temperature correction was included.

The calculated (^-values of the three strongest

lines are 2.90, 2.05, and 3.34 a. The calculated density is 1.920 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 34 25

200 2. 90 100

220 2. 05 56

311 1. 75 10

222 1. 67 16

400 1. 45 6

331 1. 33 4

420 1. 29 15

422 1. 18 10

511 1. 11 3

440 1. 02 3

531 0. 979 3

600 . 965 7 620 . 915 5 533 . 883 2

622 . 873 5

444 . 836 2

711 . 811 4

640 . 803 6
Praseodymium Arsenide, PrAs (cubic) Praseodymium Sulfide, PrS (cubic)

Calculated Pattern

Additional published pattern. landelli and

Botti [8] 1937.

Structural data. landelli and Botti [8] in 1937

determined that praseodymium arsenide is isomorphous with sodium chloride with the space

group O^—Fm3m (No. 225) and 4 (PrAs) per

unit cell. The atoms occupy the special positions:

Pr: 0 0 0

As: i I i

The lattice constant used in this calculated

pattern is a=6.009 a, as reported by landelli and

Botti [8]. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.00, 2.12, and 1.344 1.

The calculated density is 6.607 g/cm\

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 47 18

200 3. 00 100

220 2. 12 67

311 1. 812 8

222 1. 735 22

400 1. 502 10

331 1. 379 3

420 1. 344 25

422 1. 227 18

511 1. 156 2

440 1. 062 6

531 1. 016 2

600 1. 002 12

620 0. 950 9

533 . 916 1

622 . 906 8

444 . 867 3

711 . 841 2

640 . 833 8

642 . 803 18

731 . 782 4

Calculated Pattern

Structural data. landelli [20] in 1955 determined that praseodymium sulfide is isomorphous

with sodium chloride, with the space group

Og—Fm3m (No. 225) and 4 (PrS) per unit cell. The atoms occupy the special positions:

Pr: 0 0 0 Sill • ^ 5 ^•

Lattice constants

1955 landelli [20]

A

5. 739

1956 Picon and Patrie [25] 5. 747

The lattice constant used in this calculated

pattern is the average value a=5.743 a. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.87, 3.31, arid 2.03 a. The calculated density is 6.065 g/cm^.

Calculated Pattern

Copper \

hkl d

Peak

height

/

A

111 3. 31 75

200 2. 87 100

220 2. 03 65

311 1. 730 30

222 1. 657 21

400 1. 435 9

331 1. 317 11 420 1. 283 24

422 1. 171 17

511 1. 104 8

440 1. 015 6

531 0. 970 9

600 . 956 13

620 . 907 10

533 . 875 4

622 . 865 10

444 . 828 3

711 . 804 9

640 . 796 11
Samarium Arsenide, SmAs (cubic) Scandium Arsenide, ScAs (cubic)

Calculated Pattern

landelli [23] in 1956 determined that samarium

arsenide is isomorphous with sodium chloride

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

4 (SmAs) per unit cell. The atoms occupy the

special positions:

Sm: 0 0 0

AOAq. Ill . 2 2 2-

landelli [23] reports the lattice constant

a=5.921 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.96, 2.09, and 1.324 a. The density of samarium arsenide calculated

from the constant of landelli is 7.208 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 42 21

200 2. 96 100

220 2. 09 67

311 1. 785 9

222 1. 709 22

400 1. 480 9

331 1. 358 3

420 1. 324 25

422 1. 209 18

511 1. 140 2

440 1. 047 6

531 1. 001 3

600 0. 987 13

620 . 936 9

533 . 903 1

622 . 893 9

444 . 855 3

711 . 829 2 640 . 821 9

642 . 791 19

Calculated Pattern

Brixner [30] in 1960 determined that scandium

arsenide is isomorphous with sodium chloride

with the space group 0^—Fm3m (No. 225) and

4(ScAs) per unit cell. The atoms occupy the

special positions:

Sc: 0 0 0

As: \ \ \.

Brixner [30] reports the lattice constant

0 = 5.487 A. No temperature correction was included.

The calculated (/-values of the three strongest

lines are 2.74, 1.940, and 1.227 a. The density of scandium arsenide calculated

from the constant of Brixner is 4.820 gjcxo?.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 3. 17 12

200 2. 74 100

220 1. 940 62

311 1. 654 4

222 1. 584 19

400 1. 372 8

331 1. 259 2 420 1. 227 21

422 1. 120 15

511 1. 056 1

440 0. 970 5 531 . 927 1 600 . 914 12

620 . 868 9

533 . 837 <1

622 . 827 9

444 . 792 3

68
Sodium Hydroxide, NaOH at 300 °C (cubic) Strontium TeUuride, SrTe (cubic)

Calculated Pattern

Structural data. West [5] in 1935 determined

that sodium hydroxide at 300 °C is isomorphous

with sodium chloride with the space group

Oi—Fm3m (No. 225) with 4 (NaOH) per unit

cell. The atoms occupy the special positions:

Na: 0 0 0

0 111 • ^ 2 ?

H: undefined.

The lattice constant used in this calculated

pattern is a=5.01 a, as reported by West [5]. No temperature correction was included.

The calculated (i-values of the three strongest

Unes are 2.50, 1.77, and 1.45 a. The calculated density is 2.112 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 89 1 200 2. 50 100

220 1. 77 52

311 1. 51 3

222 1. 45 14

400 1. 25 5 331 1. 15 1 420 1. 12 12

422 1. 02 9

511 0. 964 <1

440 . 886 3

531 . 847 <1

600 . 835 7

620 . 792 6

Calculated Pattern

Goldschmidt [1] in 1926 determined that

strontium telluride is isomorphous with sodium

chloride with the space group Oh—Fm3m (No.

225) and 4 (SrTe) per unit cell. The atoms occupy

the special positions:

Sr: 0 0 0

Goldschmidt [1] reports the lattice constant

a=6.660 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.33, 2.35, and 1.489 a. The density of strontium telluride calculated

from the constant of Goldschmidt is 4.839 g/cm^.

Calculated Pattern

Copper \

hkl d

Peak

height

/

A

111 3. 85 5

200 3. 33 100

220 2. 35 69

311 2. 01 2

222 1. 923 23

400 1. 665 10

331 1. 528 <1

420 1. 489 27

422 1. 359 19

511 1. 282 <1

440 1. 177 6

531 1. 126 <1

600 1. 110 11

620 1. 053 8

533 1. 016 <1

622 1. 004 7 444 0. 961 2 711 . 933 <1

640 . 924 6

642 . 890 12

731 . 867 <1

800 . 832 2

733 . 814 <1

820 . 808 13

822 . 785 10
Terbium Nitride, TbN (cubic) Thorium Arsenide, ThAs (cubic)

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that terbium nitride is isomorphous with

sodium chloride with the space group

O^—Fm3m (No. 225) and 4 (TbN) per unit cell. The atoms occupy the special positions:

Tb: 0 0 0

N-• 111 2 2 2- Klemm and Winkelmann [24] report the lattice

constant a=4.933 1.

No temperature correction was included.

The calculated <i-values of the three strongest

Unes are 2.85, 2.47, and 1.744 a. The density of terbium nitride calculated from

the constant of Klemm and Winkelmann is 9.568

g/cm^.

Calculated Pattern

Copper X

Peak

height

hkl d

/

A

111 2. 85 100

200 2. 47 69

220 1. 744 42

311 1. 487 36

222 1. 424 13

400 1. 233 6

331 1. 132 14

420 1. 103 16

422 1. 007 12

511 0. 949 12

440 . 872 5

531 . 834 17

600 . 822 13

Calculated Pattern

Ferro [19] in 1955 determined that thorium

arsenide is isomorphous with sodium chloride with

the space group 0^—^FmSm (No. 225) and

4 (ThAs) per unit cell. The atoms occupy the

special positions:

Th: 0 0 0

As: ^ i ^.

Ferro [19] reports the lattice constant

a=5.972 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.99, 2.11, and 3.45 a. The density of thorixma arsenide calculated

from the constant of Ferro is 9.572 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 45 47

200 2. 99 100

220 2. 11 68

311 1. 801 20

222 1. 724 23

400 1. 493 10

331 1. 370 8

420 1. 335 26

422 1. 219 19

511 1. 149 6

440 1. 056 6

531 1. 009 6

600 0. 995 13

620 944 10

533 911 3

622 900 10

444 862 3

711 836 5

640 828 10

642 798 20
Thulium Arsenide, TmAs (cubic) Thulium Nitride, TmN (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that thulium

arsenide is isomorphous with sodium chloride

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

4 (TmAs) per unit cell. The atoms occupy the

special positions:

Tm: 0 0 0

A<5- 4 i i

Brixner [30] reports the lattice constant

a=5.711 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 2.86, 2.02, and 3.30 a. The density of thuhum arsenide calculated

from the constant of Brixner is 8.695 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 30 27

200 2. 86 100

220 2.02 65

311 1. 722 11

222 1. 649 21

400 1.428 9

331 1. 310 4

420 1. 277 24

422 1. 166 17

511 1. 099 3

440 1. 010 6

531 0. 965 4

600 . 952 13

620 . 903 10

533 . 871 2

622 . 861 10

444 . 824 3

711 . 800 4

640 . 792 11

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that thulium nitride is isomorphous with

sodium chloride with the space group Oh—Fm3m

(No. 225) and 4(TmN) per unit cell. The

atoms occupy the special positions:

Tm: 0 0 0 Ni 1 1 ^ ^ ^

Klemm and Winkelmann [24] report the lattice

constant a=4.809 a. r No temperatiu-e correction was included.

The calculated (^-values of the three strongest

lines are 2.78, 2.40, and 1.700 a. The density of thuhimi nitride calciJated from

the constant of EQemm and Winkelmann is 10.93

g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

I

A

111 2. 78 100

200 2. 40 67

220 1. 700 40

311 1. 450 35

222 1. 388 12

400 1. 202 5 331 1. 103 14

420 1. 075 16

422 0. 982 13

511 . 925 13

440 . 850 6

531 . 813 19

600 . 802 15
Thulium Telluride, TmTe (cubic) Titanium Sulfide, TiS2 (hexagonal)

Calculated Pattern

Brixner [30] in 1960 determined that thulium

telluride is isomorphous with sodium chloride with

the space group Oh—^Fm3m (No. 225) and

4 (TmTe) per unit cell. The atoms occupy the

special positions:

Tm: 0 0 0

To. Ill

Brixner [30] reports the lattice constant

a=6.042 A. No temperature correction was included.

The calculated (^-values of the three strongest

lines are 3.02, 2.14, and 1.351 1.

The density of thulium telluride calculated from

the constant of Brixner is 8.929 g/cm^.

Calculated Pattern

Copper X

Peak

height

hkl d

I

A

111 3. 49 4

200 3. 02 100

220 2. 14 67

311 1. 822 2

222 1. 744 22

400 1. 510 10

331 1. 386 <1

420 1. 351 26

422 1. 233 18

511 1. 163 <1

440 1. 068 6

531 1. 021 <1

600 1. 007 13

620 0. 955 9

533 . 921 <1

622 . 911 9

444 . 872 3

711 . 846 <1

640 . 838 9

642 . 807 18

731 . 787 <1

Calculated Pattern

Jeannin and Benard [29] in 1959 determined

that titanimn sulfide is isomorphous with cadmium iodide with the space group Did—P3ml

(No. 164) and ^TiSa) per unit cell. The atoms

occupy the special positions:

Ti: 0 0 0

S: I f i i u with u=0.25.

Jeannin and Benard [29] report the lattice constants a=3.4049 a and c=5.6912 a. No temperatiire correction was included.

The calculated rf-values of the three strongest

lines are 2.62, 5.69, and 2.05 a. The density of titanium sulfide calculated from

the constants of Jeannin and Benard is 3.255

g/cm^

Calculated Pattern

Copper X

Peak

height

hkl d

/

A

001 5. 69 55

100 2. 95 2 002 2. 85 2 101 2. 62 100

102 2. 05 47

003 1. 90 2

110 1. 70 23

111 1. 63 7 103 1. 60 15

200 1. 474 <1

112 1. 461 <1

201 1. 427 9

004 1. 423 4

202 1. 309 8

104 1. 281 <1

113 1. 267 2

203 1. 164 5 005 1. 138 <1

210 1. 114 <1

211 1. 094 7 114 1. 092 9
Uranium Telluride, UTe (cubic) Ytterbium Arsenide, YbAs (cubic)

Calculated Pattern

Ferro [16] in 1954 determined that uranium

telluride is isomorphous with sodiiun chloride

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

4 (UTe) per unit cell. The atoms occupy the

special positions:

U: 0 0 0

Te- i i i -l-O- 2 2 2-

Ferro [16] reports the lattice constant

a=6.163 A. No temperature correction was included.

The calculated c?-values of the three strongest

Unes are 3.08, 2.18, and 1.378 a. The density of uranium telluride calculated

from the constant of Ferro is 10.374 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 56 17

200 3. 08 100

220 2. 18 70

311 1. 858 8

222 1. 779 23

400 1. 541 10

331 1. 414 3

420 1. 378 27

422 1. 258 19

511 1. 186 2

440 1. 089 6

531 1. 042 2 600 1. 027 13

620 0. 974 10

533 . 940 1

622 . 92/9 9

444 . 890 3

711 . 863 2

640 . 855 9

642 . 824 18

731 . 802 3

Calculated Pattern

Brixner [30] in 1960 determined that ytterbium

arsenide is isomorphous with sodium chloride with

the space group Oh—Fm3m (No. 225) and

4 (YbAs) per unit cell. The atoms occupy the

special positions:

Yb: 0 0 0

Aa- 111

Brixner [30] reports the lattice constant

a=5.698 A. No temperatiu-e correction was included.

The calculated c^-values of the three strongest

lines are 2.85, 2.01, and 3.29 a. The density of ytterbiiun arsenide calculated

from the constant of Brixner is 8.902 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 29 29

200 2. 85 100

220 2. 01 66

311 1. 718 12

222 1. 645 21

400 1. 424 9

331 1. 307 4

420 1. 274 24

422 1. 163 18

511 1. 097 3

440 1. 007 6

531 0. 963 4

600 . 950 13

620 . 901 10

533 . 869 2

622 . 859 10

444 . 822 3

711 . 798 4

640 . 790 11
Ytterbium Nitride, YbN (cubic)

Calculated Pattern

Klemm and Winkelmann [24] in 1956 determined that ytterbium nitride is isomorphous with

sodium chloride with the space group Oh—Fm3m

(No. 225) and 4 (YbN) per unit cell. The atoms

occupy the special positions:

Yb: 0 0 0

-L> N-• ill 2 2 2- Klemm and Winkelmann [24] report the lattice

constant a=4.786 a. No temperature correction was included.

The calculated (Z-values of the three strongest

Unes are 2.76, 2.39, and 1.692 a. The density of ytterbium nitride calculated

from the constant of Klemm and Winkelmann is 11.33 g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 2. 76 100

200 2. 39 66

220 1. 692 40

311 1. 443 35

222 1. 382 12

400 1. 196 5

331 1. 098 14

420 1. 070 16

422 0. 977 13

511 . 921 13

440 . 846 6

531 . 809 20

600 . 798 16

Yttrium Arsenide, YAs (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that yttrium

arsenide is isomorphous with sodium chloride

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

4 (YAs) per unit cell. The atoms occupy the

special positions:

Y: 0 0 0

-^5. A<5- ill 2 2 2-

Brixner [30] reports the lattice constant

a=5.786 A. No temperature correction was included.

The calculated rf-values of the three strongest

lines are 2.89, 2.05, and 1.294 a. The density of yttrium arsenide calculated from

the constant of Brixner is 5.617 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 34 2 200 2. 89 100

220 2. 05 63

311 1. 745 <1

222 1. 670 20

400 1. 446 9

331 1. 327 <1

420 1. 294 22

422 1. 181 16

511 1. 114 <1

440 1. 023 5

531 0. 978 <1

600 . 964 12

620 . 915 9

533 . 882 <1

622 .872 8

444 . 835 3

711 . 810 <1

640 . 802 9
Yttrium Telluride, YTe (cubic) Zirconium Phosphide, ZrP (cubic)

Calculated Pattern

Brixner [30] in 1960 determined that yttrium

telluride is isomorphous with sodium chloride

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

4 (YTe) per unit cell. The atoms occupy the

special positions:

Y: 0 0 0

Tp- Ac. ill 2 2 2-

Brixner [30] reports the lattice constant

a=6.095 A. No temperature correction was included.

The calculated c?-values of the three strongest

lines are 3.05, 2.15, and 1.363 a. The density of yttrium telliaride calculated

from the constant of Brixner is 6.351 g/cm^

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 52 5 200 3. 05 100

220 2. 15 67

311 1. 838 2

222 1. 759 22

400 1. 524 9

331 1. 398 <1

420 1. 363 25

422 1. 244 17

511 1. 173 <1

440 1. 077 5

531 1. 030 <1

600 1. 016 12

620 0. 964 8

533 . 929 <1

622 . 919 8

444 . 880 3

711 . 853 <1

640 . 845 8

642 . 814 16

731 . 794 <1

Calculated Pattern

Schonberg [17] in 1954 determined that zirconium phosphide is isomorphous with sodium

chloride with the space group Oh—Fm3m (No.

225) and 4 (ZrP) per unit cell. The atoms oc- cupy the special positions:

Zr: 0 0 0 Pill2 2 2-

Schonberg [17] reports the lattice constant

a=5.27 A. No temperature correction was included.

The calculated c^-values of the three strongest

lines are 2.63, 1.86, and 3.04 1.

The density of zirconium phosphide calculated

from the constant of Schonberg is 5.54 g/cm^.

Calculated Pattern

Copper X

hkl d

Peak

height

/

A

111 3. 04 51

200 2. 63 100

220 1. 86 61

311 1. 59 18

222 1. 52 19

400 1. 32 8

331 1. 21 6

420 1. 1'8 21

422 1. 07 16

511 1. 01 5

440 0. 931 6

531 . 890 6

600 . 878 14

620 . 833 11

533 . 803 3

622 . 794 12

75
References for Calculated Patterns

[1] V. M. Goldschmidt, Researches on the structure and

properties of crystals, Skrifter Norske VidenskapsAkad. Oslo I. Mat.-Naturv. Kl. #8 (1926).

[2] I. Oftedal, The lattice constants of CaO, CaS, CaSe,

and CaTe, Z. Physik Chem. (Leipzig) 128, 154

(1927).

[3] A. Ferrari and F. Giorgi, The crystal structure of bromides of bivalent metals, Atti Accad. Nazi.

Lincei Rend. Classe Sci. Fis. Mat. Nat. 9, 1134 (1929)

[4] A. Ferrari and F. Giorgi, The crystal structure of the

anhydrous iodides of bivalent metals I. Iodides of cobalt, iron, and manganese. Ibid. 10, 522 (1929).

[5] C. D. West, Thermochemistry and physical properties

of bromides and hydrosulfides, J. Phys. Chem. 39,

493-507 (1935).

[6] A. landelli and R. Botti, On the crystal structure of compounds of the rare earths with metalloids of the V group. Phosphides of La, Ce, and Pr. Atti Accad. Nazi. Lincei Rend. Classe Sci. Fis. Mat. Nat. 34, 459 (1936).

[7] A. landelli and R. Botti, On the crystal structure of compounds of the rare earths with metalloids of the V group. Nitrides of La, Ce, and Pr. Ibid.

25, 129 (1937).

[8] A. landelli and R. Botti, On the crystal structure of compounds of the rare earths with metalloids of the V group. Arsenides and antimonides of lanthanum, cerium, and praseodymium. Ibid. 25,

498-502 (1937).

[9] A. landelli and R. Botti, On the crystal structure of compounds of the rare earths with metalloids of the V group. Compounds of neodvmium. Ibid.

25, 638-640 (1937).

[10] A. landelli and R. Botti, On the crystal structure of compounds of the rare earths with metalloids of the

V group. Compounds 1:1 with Bi, Ibid. 36, 233

(1937) . [11] H. M. Powell and F. M. Brewer, The structure of germanous iodide, J. Chem. Soc. 1938 Part I, 197

(1938) . [12] H. Senff and W. Klemm, Ytterbochalkogenide, Z. Anorg. Allgem. Chem. 242, 92 (1939).

[13] W. Teichert and W. Klemm, Das Gitter der Hochtemperaturform von Kaliumhydroxyd, Ibid. 343,

138 (1939).

[14] W. H. Zachariasen, Crystal chemical studies of the

5-f series of elements. XII. New compounds

representing known structure types, Acta Cryst. 3,

388 (1949).

[15] R. A. Young and W. T. Ziegler, Crystal structure of lanthanum nitride, J. Am. Chem. Soc. 74, 5251

(1952).

[16] R. Ferro, Several selenium and tellurium compounds

of uranium, Z. Anorg. Allgem. Chem. 275, 320

(1954).

[17] N. Schonberg, An x-ray investigation of transition

metal phosphides. Acta Chem. Scand. 8, 226 (1954).

[18] S. A. Semiletov, Diffraction investigation of the

structure of sublimed films of the composition

Bi-Se and Bi-Te, Trudy Inst. Krist. Akad. Nauk

SSSR 10, 76 (1954).

[19] R. Ferro, The crystal structure of thorium arsenide,

Acta Cryst. 8, 360 (1955).

[20] A. landelli, Monochalcogenides of lanthanum, cerium,

praseodymium, and neodymium, Gazz. Chim. Ital. 85, 881 (1955).

[21] H. A. Eick, N. C. Baenziger, and L. Eyring, Lower

oxides of samarium and europium. The preparation and crystal structure of SmOo 4-o «, SmO, and

EuO, J. Am. Chem. Soc. 78, 5147 (1956).

[22] R. Ferro, The crystal structures of thorium antimonides. Acta Cryst. 9, 817 (1956).

[23] A. landelli. Some samarium compounds of NaClType, Z. Anorg. Allgem, Chem. 288, 81 (1956).

[24] W. Klemm and G. Winkelmann, Nitrides of the rare earth metals. Ibid. 288, 87 (1956).

[25] M. Picon and M. Patrie, Sur les sous-sulfures des

terresrares ceriques, Compt. Rend. 343, 1321 (1956)

[26] A. E. Gorum, Crystal structure of PuAs, PuTe,

PuP, and PuOSe, Acta Cryst. 10, 144 (1957).

[27] L. Domange, J. Flahaut, M. Guittard, and J. Loriers,

Ytterbium sulfides, Compt. Rend. 347, 1614 (1958).

[28] M. Guittard and A. Benacerraf, The selenides, MSe,

of the lanthanides from lanthanum to gadolinium,

Ibid. 348, 2589 (1959).

[29] Y. Jeannin and J. Benard, The non-stoichiometric

phase TiS2: Extent of the domain and nature of the defects, Ibid. 348, 2875 (1959).

[30^ L. H. Brixner, Structure and electrical properties of some new rare-earth arsenides, antimonides, and

tellurides, J. Inorg. Nucl. Chem. 15, 199 (1960).

[31] G. Bruzzone, Structure and magnetic properties of MX compounds from holmium and metalloids of

the fifth and sixth groups, Atti Accad. Nazi.

Lincei Rend. Classe Sci. Fis. Mat. Nat. 30, 208-213.

(1961).

[32] R. N. Kuz'min and S. V. Nikitina, The structures of compounds of composition AB of rare-earth metals

with antimony and bismuth, Kristallografia 8(3),

453-4 (1963). English translation in Crystallography 8(3), 354 (1963).

[33] M. D. Lyutaya and G. V. Samsonov, Preparation

and properties of lanthanum nitride, Ukr. Khim.

Zh. 29(3), 251-5 (1963).

76
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, 3, AND 4

'

Aluminum, Al

Aluminum antimony, AlSb

Aluminum calcium sulfate hydrate (ettringite), AlzOa-eCaO-SSOs-SlHjO

Aluminum chloride hexahydrate (chloraluminite), AlCIj-eHzO

Aluminum fluosilicate, topaz, Al2Si04(F,OH)2

Aluminum metaphosphate, A1(P03)3

Aluminum orthophosphate (berlinite), AIPO4

(trigonal)

Aluminum orthophosphate, AIPO4 (orthorhombic)

Aluminum oxide, (corundum), alpha Al203__

Aluminum oxide monohydrate (bohmite),

alpha A1203-H20

Aluminum oxide monohydrate, diaspore,

beta A1203-H20

Aluminum 3:2 silicate (mullite)

3Al203-2Si02

Ammonium aluminum sulfate dodecahydrate (teschermigite), NH4Al(SO,)2 l2H20-

Ammonium azide, NH4N3

Ammonium bicarbonate (teschemacherite),

(NH4)HC03

Ammonium bromide, NH4Br

Ammonium bromoosmate, (NH4)20sBr6

Ammonium bromoplatinate, (NH4)2PtBr6

Ammonium bromoselenate, (NH4)2SeBr6

Ammonium bromotellurate, (NH4)2TeBr6

Ammonium chloride (sal-ammoniac),

NH4CI

Ammonium chloroiridate (NH4)2lrCl6

Ammonium chloroosmate, (NH4)20sCl6

Ammonium chloropalladate, (NH4)2PdCl6---

Ammonium chloropalladite, (NH4)2PdCl4

Ammonium chloroplatinate, (NH4)2PtCl6

Ammonium chlorostannate (NH4)2SnCl6

Ammonium chlorotellurate, (NH4)2TeCl6

Ammonium chromium sulfate dodecahydrate, NH4Cr(S04)2-12H20 Ammonium dihydrosen phosphate,

NH4H2PO4

Ammonium fluoberyllate, (NH4)2BeF4

Ammonium fluoborate, NH4BF4

Ammonium fluogermanate, (NH4)2GeF6

Ammonium fluosilicate (cryptohalite),

(NH4)2SiF6

Ammonium gallium sulfate dodecahydrate,

NH4Ga(S04)2-12H20

Ammonium iodide, NH4I

Ammonium iron sulfate dodecahydrate,

NH4Fe(S04)2-12H20

Ammonium metavanadate, NH4VO3

Ammonium nitrate (ammonia-niter),

NH4NO3

Ammonium oxalate monohydrate (oxammite), (NH4)iC204-H20

Ammonium perchlorate, NH4CIO4 (orthorhombic)

Ammonium perrhenate, NH4Re04_-_,

Ammonium phosphomolybdate tetrahydrate, (NH4)3P04(Mo03),2-4H20

Ammonium sulfate (mascagnite), (NH4)2S04

(revised)

Ammonium zirconium fluoride, (NH4)3ZrF7_

Antimony, Sb

Antimony cerium, CeSb

» Further work on this program Is In progress, and it is anticipated that

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

IS not necessarily the concluding index for the project. m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

Vol. or

sec. Page

1 11

A4 1

0 6

7 3

im A4

2m 3

10 3

10 4

Q

3 38

3 41

3m 3

C Q

9 4

9 5 2 49

3 71

9

8

6

8

4

5

1 59

8 6

Im 6

Q 7t 6 6

5 3

58

4

8

6 7

4 64

3m 5 om D

6 8

0

e0

aD y 4 56

6 10

8 9

7 4

7 5

7 6

9 7

8 10

9 8

6 14

3 14

4m 40

Antimony dysprosium, DySb

Antimony erbium, ErSb

Antimony (III) fluoride, SbFs

Antimony gadolinium, GdSb

Antimony (III) iodide, Sbl3

Antimony lanthanum, LaSb

Antimony neodymium, NdSb

Antimony (III) oxide (senarmontite) , Sb203

(cubic)

Antimony (III) oxide, valentinite, Sb203

(orthorhombic)

Antimony (IV) oxide (cervantite) , Sb204

Antinomy(V) Oxide, SbjOs

Antimony praseodymium, PrSb

Antimony scandium, SbSc

Antimony selenide, Sb2Se3

Antimony (III) sulfide (stibnite), Sb2S3

Antimony telluride, Sb2Te3

Antimony thorium, SbTh

Antimony thulium, SbTm

Antimony ytterbium, SbYb

Antimony yttrium, SbY

Arsenic, As

Arsenic (III) iodide, ASI3

Arsenic trioxide, claudetite, AS2O3 (monoclinic)

Arsenic trioxide (arsenolite) , AS2O3 (cubic)

Barium, Ba

Barium arsenate, Ba3(As04)2

Barium boron oxide, high form, BaB204

Barium boron oxide, BaB407

Barium bromide monohydrate, BaBr2-H20-.

Barium carbonate (witherite), BaC03 (orthorhombic)

Barium carbonate, BaC03 (cubic) at 1075 °C

Barium fluoride, BaF2

Barium fluosilicate, BaSiFe

Barium molybdate, BaMo04

Barium nitrate (nitrobarite), Ba(N03)2

Barium perchlorate trihydrate,

Ba(C104)2-3H20

Barium peroxide, BaO^

Barium stannate, BaSnOs

Barium sulfate (barite), BaS04

Barium sulfide, BaS

Barium titanate, BaTiOs

Barium tungstate, BaW04

Barium zirconate, BaZrOs

Beryllium aluminum oxide (chrysoberyl),

BeAl204

Beryllium aluminum silicate, beryl,

Be3Al2(Si03)6

Beryllium chromium oxide, BeCr204

Beryllium germanate, Be2Ge04

Beryllium orthosilicate, phenacite, BeSi204-_

Beryllium oxide (bromellite), BeO

Bismuth, Bi

Bismuth cerium, BiCe

Bismuth dysprosium, BiDy

Bismuth erbium, BiEr

Bismuth fluoride, BiFs

Bismuth holmium, BiHo

Bismuth(III) iodide, Bils

Bismuth lanthanum, BiLa

Bismuth neodymium, BiNd

Bismuth orthophosphate, BiP04 (monoclinic)

Bismuth orthophosphate, BiP04 (trigonal).

Bismuth orthovanadate, low form, BiV04

(tetragonal)

Vol. or

sec. Page

4m A 1 4m 41

zm A4

4m 42

6 16

4m 42

4m 43

3 31

10 6

10 8

10 10

4m 43

4m 44

3m 7

5 6

iSm Q

4m 44

4m 45

4m 45

4m 46

3 6

6 17

om y

1 51

A4 t 2m 6

4m 4

4m 6

3m 10

L 54

10 11

1 70

4m 7

7 7

1 81

2m 7

0

3m 11

Q 00

7 8

3 45

7 9

5 8

9 10

9 13

10 12

10 13

8 11

1 36

6 zU

4m

4m 47

4m 47

Im 7

4m 48

6 20

4m Aft to

4m 49

3m 11 3m 13

3m 14

77
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, 3, AND 4—Continued

Vol. or

sec. Page

Bismuth orthovanadate, high form, BiVOi

(monoclinic) 3m 14

Bismuth oxybromide, BiOBr 8 14

Bismuth oxychloride (bismoclite), BiOCl- _ 4 54

Bismuth oxyiodide, BiOI 9 16

Bismuth praseodymium, BiPr 4m 49

Bismuth sulfide (bismuthinite), Bi2S3 4 23

Bismuth telluride, BiTe 4m 50

Bismuth telluride (tellurobismuthite),

BizTes 3m 16

Bismuth trioxide (bismite), alpha Bi203 3 16

Cadmium, Cd 3 10

Cadmium bromide, CdBr2 9 17

Cadmium carbonate (otavite), CdCOs 7 11 Cadmium chloride, CdCU 9 18

Cadmium cyanide, Cd(CN)2 2m 8

Cadmium molybdate, CdMo04 6 21

Cadmium oxide, CdO 2 27

Cadmium perchlorate hexahydrate,

Cd(C104)2-6H20 3m 19

Cadmium selenide, CdSe (hexagonal) 7 12

Cadmium sulfate, CdS04 3m 20

Cadmium sulfide (greenockite), CdS 4 15

Cadmium telluride, CdTe 3m 21

Cadmium tungstate, CdW04 2m 8

tri-Calcium aluminate, 3CaO-Al203 5 10

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

Calcium aluminum germanate,

Ca3Al2(Ge04)3 10 15

Calcium bromide hexahydrate, CaBr2-6H20- 8 15

Calcium carbonate (aragonite), CaCOs (orthorhombic) 3 53

Calcium carbonate (calcite) CaCOs (hexagonal) 2 51

Calcium chromate, CaCr04 7 13

Calcium chromium germanate,

Ca3Cr2(Ge04)3 10 16

Calcium chromium silicate (uvarovite),

Ca3Cr2(Si04)3 10 17

Calcium fluoride (fluorite), CaF2 1 69

Calcium fluoride phosphate (fluorapatite),

Ca5r(P04)3 3m 22

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),

Ca3Fe2Si30i2 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 telluride, CaTe 4m 50

Calcium tungstate, scheelite, CaW04 6 23

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

Cerium arsenide, CeAs 4m 51

Cerium(III) chloride, CeCU Im 8

Cerium(III) fluoride, CeF3 8 17

Cerium, magnesium nitrate 24-hydrate,

Ce2Mg3(N03),2-24H20 ---- 10 20

Cerium niobium titanium oxide (eschynite),

CeNbTiOs 3m 24

Cerium nitride, CeN 4m 51

Cerium(IV) oxide (cerianite) Ce02 1 56

m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

Vol. or

sec. Page

Cerium phosphide, CeP 4m 52

Cerium (III) vanadate, CeV04 Im 9

Cesium aluminum sulfate dodecahydrate,

CsAl(S04)2- 12H2O 6 25

Cesium bromate, CsBrOs 8 18

Cesium bromide, 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, CSCIO3 8 20

Cesium chloride, CsCl 2 44

Cesium chloroosmate (IV), Cs20sCl6 2m 11

Cesium chloroplatinate, Cs2PtCl6 5 14

Cesium chlorostannate, Cs2SnCl6 5 16

Cesium chromate, Cs2Cr04 3m 25

Cesium chromium sulfate dodecahydrate,

CsCr (804)2- I2H2O 8 21

Cesium dichloroiodide, CsICU 3 50

Cesium fluoantimonate, CsSbFe 4m 9

Cesium fluoborate, CSBF4 8 22

Cesium fluogermanate, Cs2GeF6 5 17

Cesium fluoplatinate, Cs2PtF6 6 27

Cesium fluoride, CsF 3m 26

Cesium fluosilicate, Cs2SiF6 5 19

Cesium gallium sulfate dodecahydrate,

CsGa(S04)2-12H20 8 23

Cesium iodide, Csl 4 47

Cesium iron sulfate dodecahydrate,

CsFe (804)2- I2H2O 6 28

Cesium nitrate, CSNO3 9 25

Cesium perchlorate, CSCIO4, (orthorhombic) Im 10

Cesium sulfate CS28O4 7 17

Cesium vanadium sulfate dodecahydrate,

CsV(804)2-12H20 Im 11 Chromium, Cr 5 20

Chromium orthophosphate, alpha, CrP04-_ 2m 12

Chromium orthophosphate, beta, CrP04 9 26

Chromium (III) oxide, Cr203 5 22

Chromium silicide, CrsSi 6 29

Cobalt, Co (cubic) 4m 10

Cobalt aluminum oxide, C0AI2O4. , 9 27

Cobalt arsenide (skutterudite), CoAss 10 21

Cobalt (II) carbonate (spherocobaltite),

C0CO3 10 24

Cobalt diarsenide, CoAs2 (revised) 4m 10

Cobalt fluosilicate hexahydrate,

Co8iF6-6H20 3m 27

Cobalt gallate, CoGa204 10 27

Cobalt germanate, Co2Ge04 10 27

Cobalt iodide, C0I2 4m 52

Cobalt iron arsenide (safflorite), CoFeAs4-- 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 perchlorate hexahydrate,

Co(C104)2-6H20 3m 28

Cobalt silicate, 0028104 (orthorhombic) 4m 11

Cobalt sulfate, beta, C0SO4 2m 14

Cobalt titanate, CoTio3 4m 13

Cobalt tungstate, C0WO4 4m 13

Copper, Cu 1 15

Copper(I) bromide, CuBr 4 36

Copper carbonate basic, azurite,

Cu3(OH)2(C03)2 ---- 10 30

Copper carbonate, basic, (malachite),

Cu2(OH)2C03 10 31

78
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, 3, AND 4—Continued

Vol. or

sec. Page

Copper(I) chloride (mantokite), CuCl 10 35

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

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

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

Copper sulfate (chalcocyanite), CUSO4 3m 29

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

Dysprosium arsenate, DyAsOi 3m 30

Dysprosium arsenide, DyAs 4m 53

Dysprosium gallium oxide 3:5,

Dy3Ga2(Ga04)3 2m 15

Dysprosium nitride, DyN 4m 53

Dysprosium sesquioxide, Dy203 9 30

Dysprosium telluride, DyTe 4m 54

Dysprosium vanadate, DyV04 4m 15

Erbium arsenate, ErAs04 3m 31

Erbium arsenide, ErAs 4m 54

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

Erbium manganite, ErMnOs 2m 16

Erbium nitride, ErN 4m 55

Erbium phosphate, ErP04 9 31

Erbium sesquioxide, Er203 8 25

Erbium telluride, ErTe 4m 55

Europium arsenate, EuAs04 3m 32

Europium (III) chloride, EuCU Im 13

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

Europium nitride, EuN 4m 56

Europium oxide, EuO 4m 56

Europium oxychloride, EuOCl Im 13

Europium (III) vanadate, EUVO4 4m 16

Gadolinium arsenate, GdAs04 4m 17

Gadolinium arsenide, GdAs 4m 57

Gadolinium fluoride, GdFs Im 14

Gadolinium gallium oxide 3:5,

Gd3Ga2 (Ga04)3 2m 18

Gadolinium nitride, GdN 4m 57

Gadolinium oxide, Gd203 Im 16

Gadolinium oxychloride, GdOCl Im 17

Gallium, Ga 2 9

Gallium arsenide, GaAs 3m 33

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)

(low form) 1 51

Germanium dioxide, Ge02 (tetragonal)

(high form) 8 28

Germanium iodide, Gel2 4m 58

Germanium (IV) iodide, Gel4 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 arsenate, H0ASO4 3m 34

Holmium ethylsulfate nonahydrate,

Ho[(C2H5)S04]39H20 Im 18

Holmium nitride, HoN 4m 58

Holmium selenide, HoSe 4m 59

Holmium sesquioxide, H02O3 9 32

Holmium vanadate, II0VO4 4m 18

Indium, In 3 12

Indium antimony, InSb 4 73

Indium arsenide, InAs 3m 35

Indium oxide, In203 5 26

Indium phosphate, InP04 8 29

m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

Vol. or

sec. Page

Iodic acid, HIOs 5 28

Iodine, I2 3 16

Iridium, Ir 4 9

Iridium dioxide, Ir02 4m 19

Iron, alpha Fe 4 3

Iron arsenide, FeAs Im 19

Iron arsenide (loellingite), reAs2 10 34

Iron bromide, FeBr2 4m 59

Iron iodide, Fel2 4m 60

Iron sulfide (pyrite), FeS2 5 29

Lanthanum arsenate, LaAs04 3m 36

Lanthanum arsenide. LaAs 4m 60

Lanthanum borate, LaB03 Im 20

Lanthanum chloride, LaCU Im 20

Lanthanum fluoride, LaFa 7 21

Lanthanum magnesium nitrate 24-hydrate,

La2Mg3(N03)i2-24H20 Im 22

Lanthanum niobium titanium oxide,

LaNbTiOe 3m 37

Lanthanum nitride, LaN 4m 61

Lanthanum oxide, La203 3 33

Lanthanum oxychloride, LaOCl 7 22

Lanthanum selenide, LaSe 4m 61

Lead, Pb 1 34

Lead boron oxide, PbB407 4m 19

Lead bromide, PbBr2 2 47

Lead carbonate (cerrussite), PbCOs 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 (orthorhombic) 5 31

Lead fluoride, beta PbFj (cubic) 5 33

Lead (II), iodide, Pblj 5 34

Lead molybdate (wulfenite), PbMo04 7 23

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

Lead monoxide (massicot), PbO (yellow)

(orthorhombic) 2 32

Lead nitrate, Pb(N03)2 5 36

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

Lead phosphate hydrate, Pb5(P04)30H 8 33

Lead selenide (clausthalite) , PbSe 5 38

Lead sulfate (angelsite), PbS04 3 67

Lead sulflde (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, Li CI 1 62

Lithium fluoride, LiF 1 61

Lithium iodate, LilOs ^ 26

Lithium molybdate, Li2Mo04 (trigonal) Im 23

Lithium oxide, Li20 Im 25

Lithium nitrate, LiNOs 7 27

Lithium perchlorate trihydrate,

LiC104.3H20 8 34

Lithium phosphate, low form, (lithiophosphate), Li3P04 (orthorhombic) revised-— 4m 21

Lithium phosphate, high form, Li3P04 3m 39

Lithium sulfate monohydrate, Li2S04-H20- 4m 22

Lithium trimetaphosphate trihydrate,

Li3P309-3H20 2m 20

Lithium tungstate, Li2W04 (trigonal) Im 25

Lithium tungstate hemihydrate,

Li2W04KH20 2m 20

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

Lutetium manganite, LuMnOs 2m 23

Lutetium nitride, LuN 4m 62

Lutetium oxide, LU2O3 Im 27

79
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, 3, AND 4—Continued

Vol. or

sec. Page

Magnesium, Mg 1 10

Magnesium aluminate (spinel), MgAl204 2 35

Magnesium aluminum silicate (pyrop>e),

Mg3Al2(Si04)3 4m 24

Magnesium aluminum silicate (low cordierite), Mg2Al4Si50i8 (orthorhombic) Im 28

Magnesium aluminum silicate (high cordierite), MgjAUSisOis (hexagonal) Im 29

Magnesium ammonium phosphate hexahydrate, (struvite), MgNH4P04-6H20 3m 41

Magnesium boron oxide, Mg2B205 (triclinic) _ 4m 25

Magnesium bromide, MgBr2 4m 62

Magnesium carbonate (magnesite), MgCOs. 7 28

Magnesium chromite (picrochromite)

MgCr204 9 34

Magnesium fluoride (sella ite), MgF2 4 33

Magnesium gallate, MgGa204 10 36

Magnesium germanate, Mg2Ge04 (cubic) 10 37

Magnesium germanate, Mg2Ge04 (orthorhombic) 10 38

Magnesium hydroxide (brucite), Mg(0H)2-- 6 30

Magnesium oxide (periclase), MgO 1 37

Magnesium silicate, enstatite, MgSiOs 6 32

Magnesium silicate (forsterite), Mg2Si04 1 83

Magnesium silicate fluoride (norbergite),

Mg2Si04-MgF2 10 39

Magnesium silicate fluoride (humite),

3Mg2Si04-MgF2 Im 30

Magnesium sulfate heptahydrate (epsomite)

MgS04-7H20 7 30

Magnesium sulfide, MgS 7 31

Magnesium tin, Mg2Sn 5 41

Magnesium titanate (geikielite), MgTiOs 5 43

Magnesium tungstate, MgW04 1 84

Manganese aluminate (galaxite), MnAl204-. 9 35

Manganese bromide, MnBr2 4m 63

Manganese(II) carbonate (rhodochrosite)

MnCOa 7 32

Manganese ferrite (jacobsite), MnFe204 9 36

Manganese iodide, Mnia 4m 63

Manganese (II) oxide (manganosite), MnO.. 5 45

Manganese (III) oxide (partridgeite) , Mn203- 9 37

Manganese selenide, MnSe 10 41

Manganese sulfide (alabandite), alpha MnS- 4 11 Manganese(II) tungstate (huebnerite)

MnW04 2m 24

Mercury (I) bromide, HgaBrj 7 33

Mercury (I) chloride (calomel), Hg2Cl2 1 72

Mercury (II) chloride, HgCla 1 73

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

Mercury(II) fluoride, HgF2 2m 25

Mercury (I) iodide, Hgl 4 49

Mercury (II) iodide, Hglj 1 74

Mercury(II) oxide (montroydite), HgO (re- vised) 9 39

Mercury (II) selenide (tiemannite) , HgSe 7 35

Mercury (II) sulfide (cinnabar), HgS (hexagonal) 4 17

Mercury (II) sulfide (metacinnabar) , HgS

(cubic) 4 21

Metaboric acid, HBO2 (cubic) 4m 27

Molybdenum, Mo 1 20

Molybdenum disulfide (molybdenite), M0S2- 5 47

Molybdenum trioxide (molybdite), M0O3-- 3 30

Neodynium arsenate, NdAs04 4m 28

Neodymium arsenide, NdAs 4m 64

m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

Vol. or

sec. Page

Neodymium borate, NdBOa Im 32

Neodymium chloride, NdCls Im 33

Neodymium ethylsulfate nonahydrate,

Nd[(C2H5)S04]3-9H20 9 41

Neodymium fluoride, NdF3 8 36

Neodymium gallium oxide 3:5,

Nd3Ga2(Ga04)3 Im 34

Neodymium oxide, Nd203 4 26

Neodymium oxychloride, NdOCl 8 37

Neodymium vanadate, NdV04 4m 30

Neptunium nitride, NpN 4m 64

Nickel, Ni 1 13

Nickel aluminate, NiAl204 9 42

Nickel arsenic 1: 2 (rammelsbergite), NiAs2-- 10 42

Nickel arsenic sulfide (gersdorffite) , NiAsS- . Im 35

Nickel(II) carbonate, NiCOs (trigonal) Im 36

Nickel ferrite (trevorite) , NiFe204 10 44

Nickel fluosilicate hexahydrate, NiSiF6-6H20- 8 38

Nickel gallate, NiGa204 10 45

Nickel germanate, Ni2Ge04 9 43

Nickel (II) oxide (bunsenite), NiO 1 47

Nickel sulfate, NiS04 2m 26

Nickel sulfate hexahydrate (retgersite)

NiS04-6H20 7 36

Nickel sulfide, millerite, NiS Im 37

Nickel tungstate, NiW04 2m 27

Niobium sihcide, NbSi2 8 39

Osmium, Os 4 8

Palladium, Pd 1 21

Palladium oxide, PdO 4 27

Platinum, Pt 1 31

Plutonium arsenide, PuAs 4m 65

Plutonium phosphide, PuP 4m 65

Plutonium telluride, PuTe 4m 66

Potassium acid phthalate,

C6H4(COOH)(COOK) 4m 30

Potassium aluminum sulfate dodecahydrate

(alum), KA1(S04)2-12H20 6 36

Potassium borohydride, KBH4 9 44

Potassium bromate, KBr03 7 38

Potassium bromide, KBr 1 66

Potassium bromoplatinate, K2PtBr6 8 40

Potassium bromoselenate, K2SeBra 8 41

Potassium chlorate, KCIO3 3m 42

Potassium chloride (sylvite), KCl 1 65

Potassium chloroplatinate, K2PtCl6 5 49

Potassium chlororhenate, K2ReCl6 2m 28

Potassium chlororuthenate (IV), K2RUCI6 10 46

Potassium chlorostannate, K2SnCl8 6 38

Potassium chromium sulfate dodecahydrate,

KCr(S04)2-12H20 6 39

Potassium cobaltinitrite, K3Co(N02)6 9 45

Potassium cyanate, KCNO 7 39

Potassium cyanide, KCN 1 77

Potassium dihydrogen arsenate, KH2ASO4 Im 38

Potassium dihydrogen phosphate, KH2PO4-- 3 69

Potassium fluogermanate, KjGeFe 6 41

Potassium fluoplatinate, K2PtF6 6 42

Potassium fluoride, KF 1 64

Potassium fluosilicate (hieratite), K2SiF6 5 50

Potassium fluotitanate, K2TiF6 7 40

Potassium heptafluozirconate, KsZrF? 9 46

Potassium hydroxide, KOH at 300 ° C 4m 66

Potassium hydroxy-chlororuthenate,

K4-Ru2Cl,oO-H20 10 47

Potassium iodide, KI 1 68

Potassium lithium sulfate, KLiS04 3m 43

Potassium metaperiodate, KIO4 7 41

Potassium nitrate (niter), KNO3 3 58

80
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, 3, AND 4—Continued

Vol. or

sec. Page

Potassium nitroso chlororuthenate,

KjRuCleNO 2m 29

Potassium perchlorate, KCIO^ 6 43

Potassium perchromate, KsCrOg 3m 44

Potassium permanganate, KMnOi 7 42

Potassium perrhenate, KRe04 8 41

Potassium phosphomolybdate tetrahydrate,

K2P04(Mo03)is-4H20 8 43

Potassium sulfate (arcanite), K2SO4 3 62

Potassium thiocyanate, KCNS 8 44

Potassium zinc decavanadate 16 hydrate,

K2Zn2V,o028-16H20 3m 45

Potassium zinc fluoride, KZnFs 5 51

Praseodymium arsenate, PrAsO^ 4m 32

Praseodymium arsenide, PrAs 4m 67

Praseodymium chloride, PrCls Im 39

Praseodymium fluoride, PrFa 5 52

Praseodymium oxychloride, PrOCl 9 47

Praseodymium sulfide, PrS 4m 67

Rhenium, Re 2 13

Rhodium, Rh 3 9

Rubidium aluminum sulfate dodecahydrate,

RbAl(S04)2-12H20 6 44

Rubidium bromate, RbBrOs 8 45

Rubidium bromide, RbBr 7 43

Rubidium bromotellurate, Rb2TeBr6 8 46

Rubidium chlorate, RbClOs 8 47

Rubidium chloride, RbCl 4 41

Rubidium chloroplatinate, Rb2PtCl6 5 53

Rubidium chlorostannate, Rb2SnCl6 6 46

Rubidium chlorotellurate, Rb2TeCl6 8 48

Rubidium chromate, Rb2Cr04 3m 46

Rubidium chromium sulfate dodecahydrate,

RbCr(S04)2-12H20 6 47

Rubidium fluoplatinate, Rb2PtF6 6 48

Rubidum fluosilicate, Rb2SiF6 6 49

Rubidium iodide, Rbl 4 43

Rubidium perchlorate, RbC104 2m 30

Rubidium periodate, RbI04 2m 31

Rubidium sulfate, Rb2S04 8 48

Ruthenium, Ru 4 5 Samarium arsenate, SmAs04 4m 33

Samarium arsenide, SmAs 4m 68

Samarium chloride, SmCls Im 40

Samarium fluoride, SmFs Im 41

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

Samarium oxide, Sm203 (cubic) 4m 34

Samarium oxychloride, SmOCl Im 43

Scandium arsenate, ScAs04 4m 35

Scandium arsenide, ScAs 4m 68

Scandium oxide, SC2O3 3 27

Scandium phosphate, SCPO4 8 50

Selenium, Se 5 54

Selenium dioxide (selenolite), Se02 1 53

Sihcon, Si 2 6

Silicon dioxide, alpha or low quartz, Si02

(hexagonal) 3 24

Silicon dioxide (alpha or low cristobalite),

Si02 (revised) (tetragonal) 10 48

Silicon dioxide (beta or high cristobalite),

Si02 (cubic) 1 42

Silver, Ag 1 23

Silver antimony telluride, AgSbTe2 3m 47

Silver arsenate, Ag3As04 5 56

Silver bromate, AgBr03 5 57

Silver bromide (bromyrite), AgBr 4 46

m—Monograph 25. A mineral name In ( ) indicates a synthetic sample.

Vol. or

sec. Page

Silver carbonate, Ag2C03 Im 44

Silver chlorate, AgClOs 7 44

Silver chloride, (cerargyrite), AgCl 4 44

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

Silver iodide, gamma, Agl (cubic) 9 48

Silver metaperiodate, AgI04 9 49

Silver molybdate, Ag2Mo04 7 45

Silver nitrate, AgN03 5 59

Silver nitrite, AgNOs 5 60

Silver oxide, Ag20 Im 45

Silver (II) oxynitrate, AgrOgNOs 4 61

Silver perrhenate, AgRe04 8 53

Silver phosphate, Ag3P04 5 62

Silver selenate, Ag2Se04 1 2m 32

Silver sulfate, Ag2S04 7 46

Silver sulfide (argentite), Ag2S 10 51

Sodium acid fluoride, NaHF2 5 63

Sodium borohydride, NaBH4 9 51

Sodium bromate, NaBrOs 5 65

Sodium bromide, NaBr 3 47

Sodium carbonate monohydrate

(thermonatrite), Na2C03-H20 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) at 6 ° C 1 79

Sodium fluoride (villiaumite), NaF 1 63

Sodium hydroxide, NaOH at 300 ° C 4m 69

Sodium iodate, NalOs 7 47

Sodium iodide, Nal 4 31

Sodium magnesium aluminum boron hydroxy silicate, dravite,

NaMg3Al6B3Si6027(OH)4 3m 47

Sodium metaperiodate, NaI04 7 48

Sodium molybdate, Na2Mo04 Im 46

Sodium nitrate (soda-niter), NaN03 6 50

Sodium nitrite, NaN02 4 62

Sodium orthotungstate (VI) dihydrate,

Na2W04-2H20 2m 33

Sodium perchlorate, NaClO4 (orthorhombic). 7 49

Sodium sulfate (thenardite) , Na2S04 2 59

Sodium sulfite, Na2S03 3 60

Sodium tetrametaphosphate tetrahydrate,

alpha, Na4P40i2-4H20 (monoclinic) 10 52

Sodium tetrametaphosphate tetrahydrate,

beta, Na4P40i2-4H20 (triclinic) 2m 35

Sodium trimetaphosphate, Na3P309 3m 49

Sodium trimetaphosphate monohydrate,

NaaPaOs-HzO 3m 50

Sodium tungstate, Na2W04 Im 47

Strontium arsenate, Sr3(As04)2 2m 36

Strontium 1:1 borate, SrO BzOs 3m 53

Strontium boron oxide, SrB407 4m 36

Strontium bromide hexahydrate, SrBr2-6H20- 4 60

Strontium carbonate (strontianite), SrCOs 3 56

Strontium chloride, SrCl2 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)2-2H20 (orthorhombic) 8 56

Strontium iodide hexahydrate, Srl2-6H20 8 58

Strontium molybdate, SrMD04 7 50

Strontium nitrate, Sr(N03)2 1 80

Strontium oxide, SrO 5 68

Strontium peroxide, Sr02 6 52

81
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, 3, AND 4—Continued

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Strontium sulfate (celestite), SrSOi 2 61

Strontium sulfide, SrS 7 52

Strontium telluride, SrTe 4m 69

Strontium titanate, SrTiOa 3 44

Strontium tungstate, SrWOi 7 53

Strontium zirconate, SrZrOs 9 51

Sulfamic acid, NH3SO3 7 54

Sulfur, S 9 54

Tantalum, Ta 1 29

Tantalum Silicide, TaSia 8 59

Tellurium, Te 1 26

Tellurium (IV) oxide (paratellurite), Te02

(tetragonal) 7 56

Tellurium (IV) oxide, paratellurite, Te02

(tetragonal) 10 55

Tellurium (IV) oxide, tellurite, Te02 (orthorhombic) 9 57

Terbium arsenate, TbAsO4 3m 54

Terbium nitride, TbN 4m 70

Thallium aluminum sulfate dodecahydrate,

T1A1(S04)2-12H20 6 53

Thallium (I) arsenate, TI3ASO4 2m 37

ThaUium (I) bromate, TlBrOs 8 60

ThaUium bromide, TlBr 7 57

Thallium (I) chlorate, TICIO3 8 61

Thallium (I) chloride, T1C1-- 4 51

Thallium chloroplatinate, Tl2PtCl6 5 70

ThaUium chlorostannate, Tl2SnCl6 6 54

ThalHum chromate, Tl2Cr04 3m 54

Thallium chromium sulfate dodecahydrate,

TlCr(S04)2-12H20 6 55

Thallium fluosilicate, Tl2SiFo 6 56

Thallium gallium sulfate dodecahydrate,

TlGa(S04)2-12H20 6 57

Thallium (I) iodate, TIIO3 8 62

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

Thallium (I) nitrate, TINO3 6 58

Thallium (III) oxide, TI2O3 2 28

Thallium (I) percholorate, TICIO4 2m 38

Thallium (I) phosphate, TI3PO4 7 58

Thallium (III) phosphate, TIPO4 7 59

Thallium (I) sulfate, TI2SO4 6 59

Thallium (I) thiocyanate, TICNS 8 63

Thallium (I) tungstate, TI2WO4 Im 48

Thorium arsenide, ThAs 4m 70

Thorium oxide (thorianite), Th02 1 57

Thulium arsenate, TmAs04 3m 56

Thulium arsenide, TmAs 4m 71

Thulium nitride, TmN 4m 71 ThuHum sesquioxide, TmzOs 9 58

ThuHum telluride, TmTe 4m 72

Tin, alpha, Sn (cubic) 2 12

Tin, beta, Sn (tetragonal) 1 24

Tin arsenide, SnAs 4m 37

Tin (II) fluoride, SnF2 3m 51

Tin (IV) iodide, Snh 5 71

m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

Vol. or

sec. Page

Tin (II) oxide, SnO 4 28

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

Tin (II) telluride, SnTe 7 61

Titanium, Ti 3 i Titanium dioxide (anatase), Ti02 (tetragonal) 1 46

Titanium dioxide, brookite, Ti02 (orthorhombic) 3ni 57

Titanium dioxide (rutile), Ti02 (tetragonal). 1 44

Titanium (III) oxide, TiOi.515 9 59

Titanium silicide, TisSia 8 64

Titanium sulfide, TiS2 4m 72

Tungsten, W i 28

Tungsten sulfide (tungstenite), WS2 8 65

Uranium dioxide (uraninite), UO2 2 33

Uranium telluride, UTe 4m 73

Urea, CO (NH2)2 7 61

Vanadium (V) oxide, V2O5 8 66

Ytterbium arsenate, YbAs04 4m 38

Ytterbium arsenide, YbAs 4m 73

Ytterbium gallium oxide 3:5,

Yb3Ga2(Ga04)3 Im 49

Ytterbium nitride, YbN 4m 74

Yttrium arsenate, YASO4 2m 39

Yttrium arsenide, YAs 4m 74

Yttrium galHum oxide 3:5, Y3Ga2(Ga04)3 Im 50

Yttrium, oxide, Y2O3 3 28

Yttrium oxychloride, YOGI Im 51

Yttrium phosphate (xenotime), YPO4 8 67

Yttrium telluride, YTe 4m 75

Zinc, Zn 1 I6

Zinc aluminate (gahnite), ZnAl204 2 38

Zinc antimony oxide, ZnSb204 4m 39

Zinc borate, ZnB204 1 83

Zinc carbonate, smithsonite, ZnC03 8 69

Zinc cyanide, Zn (ON) 2 5 73

Zinc fluoride, ZnF2 6 60

Zinc fluosilicate hexahydrate, ZnSiF6-6H20.. 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 hydrate, 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, (wurtzite), alpha ZnS (hexagonal) 2 14

Zinc sulfide, (sphalerite), beta ZnS (cubic) 2 16

Zinc telluride, ZnTe 3m 58

Zinc tungstate, (sanmartinite), ZnW04 2m 40

Zirconium, alpha, Zr 2 11 Zirconium iodate, Zr(I03)4 Im 51

Zirconium phosphide, ZrP 4m 75

Zirconium sihcate, zircon, ZrSi04 4 68

Zirconium sulfate tetrahydrate,

Zr(S04)2-4H20 7 66

CUMULATIVE MINERAL INDEX

Vol. or

sec. Page

Alabandite MnS 4 11 Alum, KA1(S04)2-12H20 6 36

Ammonia-niter, NH4NO3 7 4

Anatase, Ti02 1 46

Andradite, Ca3Fe2Si30i2-

Anglesite, PbS04

Anhydrite, CaS04

Aragonite, CaC03

Vol. or

sec. 9

34

3

Page

22

67

65

53

82
CUMULATIVE MINERAL INDEX—Continued

Vol. or

sec. Argentite, AgjS 10

Arcanite, K2SO4 3 Arsenolite, AS2O3 1 Aurostibite, AuSb2 7 Azurite, Cu3(OH)2 (003)2 10

Barite, BaSOi 3

Berlinite, AIPO4 10

*Ber>l, Be3Al2 {Si03)6 9

Bismite, (alpha) Bi203 3m

Bismoclite, BiOCl 4

Bismuthinite, 61283 4

Bohmite, AI2O3 H2O 3

Bromellite, BeO 1 Bromyrite, AgBr 4

*Brookite, TiOj 3m

Brucite, Mg(0H)2 6

Bunsenite, NiO 1 Calcite, CaCOa 2

Calomel, Hg2Cl2 1 Cassiterite, Sn02 1 Celestite, SrSOi 2

Cerargyrite, AgCl , 4

Cerianite, Ce02 1 Cerussite, PbCOa 2 Cervantite, Sb204 10

Chalcocyanite, CUSO4 3m

Chloraluminite, AlCU-eHjO 7 Chrysoberyl, BeAl204 9

Cinnabar, HgS 4

*Claudetite, AS2O3 3m

Clausthalite, PbSe 5

Cordierite, Mg2Al4Si50i8 (orthorhombic) Im

Cordierite, Mg2Al4Si50i8- (hexagonal) Im

Corundum, AI2O3 9

Cotunnite, PhCh 2 CoveUite, CuS 4

Cristobalite, (alpha or low) Si02 (revised) . . 10

Cristobalite, (beta or high) Si02 1 Cryptohalite, (NH4)2SiF8 5

Cuprite, CuiO 2 Diamond, C 2 *Diaspore, A1203-H20 3

*Dravite, NaMg3Al6B3Si6027(OH)4 3m

*Enstatite, MgSiOa 6

Epsomite, MgS04-7H20 7 Eschynite, CeNbTiOs 3m

Ettringite, Al203-6CaO-3S03-3lH20 8

Fluorapatite, Ca5F(P04)3 3m

Fluorite, CaF2 1 Forsterite, Mg2Si04 1 Galaxite, MnAl204 9

Galena, PbS 2 Gahnite, ZnAl204 2

Geikielite, MgTiOa 5

GersdorfRte, NiAsS Im

Goslarite, ZnS04-7H20 8

Greenockite, CdS 4

Halite, NaCl 2 *Hemimorphite, Zn4(OH)2Si207-H20 2

Hieratite, KjSiFe 5

Huebnerite, MnW04 2m

Humite, 3Mg2Si04-MgF2 Im

lodyrite, Agl 8

Jacobsite, MnFe204 9

Litharge, PbO (red) 2 Lithiphosphate, LijP04 4m

Loellingite, FeAs2 10

Magnesite, MgCOj 7 Malachite, Cu2(OH)2C03 10

Manganosite, MnO 5 Marshite, Cul 4

* Natural mineral, m—Monograph 25.

Vol. or Page sec. Page

51 Mascagnite, (NH4)2S04 (revised) 9 8

62 Massicot, PbO (yellow) 2 32

51 Matlockite, PbFCl l 76

18 Metacinnabar, HgS 4 21

30 *MiUerite, NiS Im 37

65 Minium, Pb304 8 32

3 Molybdenite, M0S2 5 47

13 Molybdite, M0O3 3 30

17 Montroydite, HgO (revised) 9 39

54 Mullite, 3Al203-2Si02 3m 3

23 Nantokite, CuCl 4 35

38 Niter, KNO3 3 58

36 Nitrobarite, Ba(N03)2 1 81

46 Norbergite, Mg2Si04-MgF2 10 39

57 Oldhamite, CaS 7 15

30 Otavite, CdC03 7 11 47 Oxammite, (NH4)2C204-H20 7 5 51 *Paratellurite, Te02 10 55

72 Paratellurite, Te02 7 56

54 Partridgeite, Mn203 9 37

61 Periclase, MgO 1 37

44 *Phenacite, Be2Si04 8 11 56 Picrochromite, MgCraOi 9 34

56 Portlandite, Ca(0H)2 1 58

8 Powellite, CaMoOi 6 22

29 Pyrite, FeS2 5 29

3 Pyrope, Mg3Al2(Si04)3 4m 24

10 *Quartz, Si02 (alpha or low) 3 24

17 Rammelsbergite, NiAs2 10 42

9 Retgersite, NiS04-6H20 7 36

38 Rhodochrosite, MnCOs 7 32

28 Rutile, Ti02 1 44

29 Safflorite, CoFeAs4 10 28

3 Sal-ammoniac, NH4CI 1 59

45 Sanmartinite, ZnW04 2m 40

13 *Scheelite, CaW04 6 23

48 Selenolite, SeOj 1 53

42 SeUaite, MgF2 4 33

5 Senarmontite, Sb203 3 31

23 Skutterudite, C0AS3 10 21

5 *Smithsonite, ZnCOa 8 69

41 Soda-niter, NaN03 6 50

47 Sphalerite, ZnS 2 16

32 Spherocobaltite, C0CO3 10 24

30 Spinel, MgAl204 2 35

24 Stibnite, Sb2S3 5 6

3 Stolzite, PbW04 7 24

22 Strontianite, SrC03 3 56

69 Struvite, MgNH4P04-6H20 1 3m 41

83 Sylvite, KCl 1 65

35 *Tellurite, Te02 9 57

18 Tellurobismuthite, Bi2Te3 3m 16

38 Tenorite, CuO 1 49

43 Teschemacherite, NH4HCO3 9 5 35 Teschermigite, NH4A1(S04)2-12H20 6 3

71 Thenardite, Na2S04 2 59

15 Thermonatrite, Na2C03-H20 8 54

41 Thorianite, Th02 1 57

62 Tiemannite, HgSe 7 35

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

24 Trevorite, NiFe204 10 44

30 Tungstenite, WS2 8 65

51 Uraninite, UO2 2 33

36 Uvarovite, Ca3Cr2(Si04)3 10 17

30 *Valentinite, SbjOa 10 6

21 Villiaumite, NaF 1 63

34 Willemite, Zn2Si04 7 62

28 Witherite, BaCOs 2 54

31 Wulfenite, PbMo04 7 23

45 Wurtzite, ZnS 2 14

38 Xenotime, YPO4 8 67

Zincite, ZnO 2 25

Zinkosite, ZnS04 7 64

* Zircon, ZrSiOi 4 68

83

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