jnal Bureau o Library, %■ ■ KARS i860 NBS CIRCULAR 539 VOLUME 9 ri / Standard X-ray Diffraction Powder Patterns UNITED STATES DEPARTMENT OF COMMERCE NATIONAL BUREAU OF STANDARDS THE NATIONAL BUREAU OF STANDARDS Functions and Activities The functions of the National Bureau of Standards are set forth in the Act of Congress, March 3, 1901, as amended by Congress in Public Law 619, 1950. These include the development and maintenance of the national standards of measurement and the provision of means and methods for making measurements consistent with these standards; the determination of physical constants and properties of materials; the development of methods and instruments for testing materials, devices, and structures; advisory services to government agencies on scientific and technical problems; in¬ vention and development of devices to serve special needs of the Government; and the development of standard practices, codes, and specifications. The work includes basic and applied research, development, engineering, instrumentation, testing, evaluation, calibration services, and various consultation and information services. Research projects are also performed for other government agencies when the work relates to and supplements the basic program of the Bureau or when the Bureau’s unique competence is required. The scope of activities is suggested by the listing of divi¬ sions and sections on the inside of the back cover. Publications The results of the Bureau’s work take the form of either actual equipment and devices or pub¬ lished papers. These papers appear either in the Bureau’s own series of publications or in the journals of professional and scientific societies. The Bureau itself publishes three periodicals available from the Government Printing Office: The Journal of Research, published in four separate sections, presents complete scientific and techincal papers; the Technical News Bulletin presents summary and preliminary reports on work in progress; and Basic Radio Propagation Predictions provides data for determining the best frequencies to use for radio communications throughout the world. There are also five series of nonperiodical publications: Monographs, Applied Mathematics Series, Handbooks, Miscellaneous Publications, and Technical Notes. Information on the Bureau’s publications can be found in NBS Circular 460, Publications of the National Bureau of Standards ($1.25) and its Supplement ($1.50), available from the Superintendent of Documents, Government Printing Office, Washington 25, D. C. UNITED STATES DEPARTMENT OF COMMERCE • Frederick H. Mueller, Secretary NATIONAL BUREAU OF STANDARDS • A. V. Astin, Director Standard X-ray Diffraction Powder Patterns Howard E. Swanson, Marlene I. Cook, Thelma Isaacs, and Eloise H. Evans National Bureau of Standards Circular 539 Volume 9, Issued February 25, 1960 For sale by the Superintendent of Documents, U. S. Government Printing Office, Washington 25, D. C. Price 40 cents ' li . • ■PO' ■ . *. f ■ ,;v ' . ‘ ‘ • -.TV,, ■ Contents Page Page Introduction_ 1 Holmium sesquioxide, Ho203_ 32 Standard X-ray powder patterns: Magnesium chromite (picrochromite), MgCr204-_ 34 Aluminum oxide-alpha (corundum), a-Al203- 3 Manganese aluminate (galaxite), MnAl204_ 35 Ammonium azide, NH4N3_ 4 Manganese ferrite (jacobsite), MnFe204_ 36 Ammonium bicarbonate (teschemacherite), Manganese(III) oxide (partridgeite), Mn203_ 37 (NH4)HC03_ 5 Mercury(II) oxide (montroydite), HgO_ 39 Ammonium bromoplatinate, (NH4)2PtBr6- 6 Neodymium ethylsulfate nonahydrate, Ammonium perrhenate, NH4Re04_ 7 Nd[(C2H6)S04]3-9H20_ 41 Ammonium sulfate (mascagnite), (NH4)2S04- 8 Nickel aluminate, NiAl204_ 42 Beryllium aluminum oxide (chrysoberyl), BeAl204 10 Nickel germanate, Ni2Ge04_ 43 Beryllium aluminum silicate (beryl), Be3Al2(Si03)6 13 Potassium borohydride, KBH4_ 44 Bismuth oxyiodide, BiOI_ 16 Potassium cobaltinitrite, K3Co(N02)6_ 45 Cadmium bromide, CdBr2_ 17 Potassium heptafluozirconate, K3ZrF7_ 46 Cadmium chloride, CdCl2_ 18 Praseodymium oxychloride, PrOCl_ 47 Calcium aluminate 12:7, 12Ca0-7Al203_ 20 Silver iodide, gamma, 7-AgI_ 48 Calcium iron silicate (andradite), Ca3Fe2Si30i2_ 22 Silver metaperiodate, AgI04_ 49 Cesium bromotellurate, Cs2TeBr6_ 24 Sodium borohydride, NaBH4_ 51 Cesium nitrate, CsN03_ 25 Strontium zirconate, SrZr03_ 51 Chromium orthophosphate beta, /3-CrP04_ 26 Sulfur, S_ 54 Cobalt aluminum oxide, CoA1204_ 27 Tellurium(IV) oxide (tellurite), Te02_ 57 Cobalt(II) oxide, CoO_ 28 Thulium sesquioxide, Tm203_ 58 Cobalt(II, III) oxide, Co304_ 29 Titanium(lII) oxide, TiOi.515_ 59 Dysprosium sesquioxide, Dy203_ 30 Zinc iodide, Znl2_ 60 Erbium phosphate, ErP04_ 31 Cumulative index to volumes 1,2,3,4,5,6,7,8, and 9 62 Errata Vol. 5. Page 5, calculated density for ammonium chlorostannate should be 2.398 g/cm3. Vol. 6. Page 15, the d-values of the NBS pattern should read 1.4361 instead of 1.4351 and 1.3184 instead of 1.3148. Standard X-ray Diffraction Powder Patterns The eight previous volumes in this series are available from the Superintendent of Documents, U. S. Government Printing Office, Washington 25, D. C., as follows: NBS Circular 539, Volume 1, Standard X-ray Diffraction Powder Patterns (Data for 54 inorganic substances) 45 cents NBS Circular 539, Volume 2, Standard X-ray Diffraction 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 cents NBS Circular 539, Volume 4, Standard X-ray Diffraction Powder Patterns (Data for 42 inorganic substances) 45 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 Diffraction 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 Diffraction Powder Patterns (Data for 61 substances) 45 cents Send orders with remittance to: Superintendent of Documents, U. S. Government Printing Office, Washington 25, D. C. Remittances from foreign countries should include an additional one-fourth of the purchase price for postage. 11-■—-— -- STANDARD X-RAY DIFFRACTION POWDER PATTERNS Vol. 9—Data for 43 Substances Howard E. Swanson, Marlene I. Cook,1 Thelma Isaacs,1 and Eloise H. Evans1 Forty-three standard X-ray diffraction powder patterns are presented. Thirty-one are to re¬ place forty-one patterns already given in the X-ray Powder Data File, and twelve are for sub¬ stances not previously included. The X-ray Powder Data File is a compilation of diffraction patterns from all sources and is used for the identification of unknown crystalline materials by matching spacing and intensity measurements. In this Circular, comparison is made of all powder diffraction data available for each of the substances reported. The patterns were made with a Geiger counter X-ray diffractometer, using samples of high purity. The d-values were assigned Miller indices determined by comparison with calculated interplanar spacings and from space group considerations. The densities and lattice constants were calculated, and the refractive indices were measured whenever possible. Included are X-ray data for the following forty-three substances: a-Al203 (corundum), NHUN«, (NH4)HC03 (teschemacherite), (NH4)2PtBr6, NH4Re04, (NH4)2S04 (mascagnite), BeAl204 (chrysoberyl), Be3Al2(Si03)6 (beryl), BiOI, CdBr2, CdCl2, 12Ca0-7Al203, Ca3Fe2Si30i2 (andradite), Cs2TeBr6, CsN03, /3-CrP04, CoA1204, CoO, Co304, Dy2Oj, ErP04, Ho2Os, MgCr204 (picrochromite) MnAl204 (galaxite), MnFe204 (jacobsite), Mn203 (partridgeite), HgO (montroydite), Nd[(C2H5)S04]3• 9H20, NiAl204, Ni2Ge04, KBH4, K3Co(N02)6, KjZrFy, PrOCl, 7-AgI, AgI04, NaBH4, SrZr04, S, Te02 (tellurite), Tm2Oj, TiOi.615, and Znl2. INTRODUCTION The National Bureau of Standards in its program2 Additional published patterns. Literature ref¬ for the revision and evaluation of published X-ray erences and radiation data for patterns that have not data for the X-ray Powder Data File presents data been published as ASTM cards are listed. These for 43 compounds. This paper is the ninth of a series patterns are included in the tables of d-values and of “Standard X-ray Diffraction Powder Patterns”. intensities. These patterns are recommended to replace 41 cards NBS sample. Many of the samples used to make now in the file. The patterns for 12 compounds not NBS patterns were special preparations (of excep¬ represented in the file have been added. These tionally high purity) obtained or prepared only in ■ compounds are ammonium bromoplatinate, am¬ small quantities. Unless otherwise noted, the monium perrhenate, cadmium bromide, cesium spectrographic analysis was done at NBS after bromotellurate, dysprosium sesqui oxide, erbium recrystallization or heat treatment. The limit of phosphate, holmium sesquioxide, neodymium ethyl- detection for the alkali elements is 0.05 percent for sulfate nonahydrate, nickel germanate, potassium the spectrographic analysis. A phase-purity check cobaltinitrite, preaseodymium oxychloride, and so¬ was made on the nonopaque materials during the dium borohydride. refractive index determination. Another check of The experimental procedure and general plan of phase-purity was provided by the X-ray pattern these reports have not changed from that of the itself, since it was indexed by comparison with previous volumes of the NBS Circular.3 However, theoretical d-values. Treating