NBS MONOGRAPH 25—SECTION 1 9 CO Q U.S. DEPARTMENT OF COMMERCE/National Bureau of Standards Standard X-ray Diffraction Powder Patterns NATIONAL BUREAU OF STANDARDS The National Bureau of Standards' was established by an act of Congress on March 3, 1901. The Bureau's overall goal is to strengthen and advance the Nation's science and technology and facilitate their effective application for public benefit. To this end, the Bureau conducts research and provides: (1) a basis for the Nation's physical measurement system, (2) scientific and technological services for industry and government, (3) a technical basis for equity in trade, and (4) technical services to promote public safety. The Bureau's technical work is per- formed by the National Measurement Laboratory, the National Engineering Laboratory, and the Institute for Computer Sciences and Technology. 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The Laboratory consists of the following centers: Applied Mathematics — Electronics and Electrical Engineering^ — Manufacturing Engineering — Building Technology — Fire Research — Chemical Engineering^ THE INSTITUTE FOR COMPUTER SCIENCES AND TECHNOLOGY conducts research and provides scientific and technical services to aid Federal agencies in the selection, acquisition, application, and use of computer technology to improve effectiveness and economy in Government operations in accordance with Public Law 89-306 (40 U.S.C. 759), relevant Executive Orders, and other directives; carries out this mission by managing the Federal Information Processing Standards Program, developing Federal ADP standards guidelines, and managing Federal participation in ADP voluntary standardization activities; provides scientific and technological advisory services and assistance to Federal agencies; and provides the technical foundation for computer-related policies of the Federal Government. The Institute consists of the following centers: Programming Science and Technology — Computer Systems Engineering. 'Headquarters and Laboratories at Gaithersburg, MD, unless otherwise noted; mailing address Washington, DC 20234. 'Some divisions within the center are located at Boulder, CO 80303. standard X-ray Diffraction Powder Patterns Section 1 9 — Data for 51 Substances Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Harry S. Parker, and Nikos P. Pyrros International Centre for Diffraction Data 1601 Park Lane Swarthmore, PA 19081 and Camden R. Hubbard National Measurement Laboratory National Bureau of Standards Washington, DC 20234 International Centre for Diffraction Data U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige. Secretary NATIONAL BUREAU OF STANDARDS, Ernest Ambler. Director Issued Decennber 1982 Library of Congress Catalog Card Number: 53-61386 National Bureau of Standards Monograph 25 Section 19— Data for 51 Substances Natl. Bur. Stand. (U.S.), Monogr. 25— Sec. 19, 118 pages (Dec. 1982) CODEN: NBSMA6 U.S. GOVERNMENT PRINTING OFFICE WASHINGTON: 1982 For sale by the Superintendent of Documents, U.S. Government Printing Office, Washington, DC 20402 Price 55.50 (Add 25 percent for other than U.S. mailing) , , , , , CONTENTS Page Page Introduction 1 Potassium strontium phosphate, KSrP04 71 Experimental patterns: Silver telluride (hessite) , Ag2Te ... 73 Sodium barium phosphate, NaBaP04 .... 75 Aluminum yttrium oxide, AIYO3 7 Sodium strontium phosphate, Aluminum yttrium oxide, Al2Y40g .... 9 NaSrP04 77 Aluminum yttrium oxide, AI5Y3O12 ••• 11 Sodium titanium phosphate, Ammonium cadmium phosphate hydrate, NaTi2(P04)3 79 NH4CdP04-H20 13 Sodium zirconium phosphate, Barium aluminum titanium oxide, NaZr2(P04)3 81 BaAlgTiOia 14 Yttrium chromium oxide, YCrOg 83 Barium aluminum titanium oxide, Zinc arsenate hydrate (koettigite) BagAlioTiOao 16 Zn3(As04)2*8H20 85 Barium boride, BaBg 18 Zinc sulfate hydrate (gunningite) Barium neodyiliium titanium oxide, ZnS04-H20 86 BaNd2Ti50i4 19 Bariiun tungsten oxide, BagWOg 21 Calculated pattern: Beryllium carbide, Be2C 23 Cadmium iodide, a-Cdl2 24 Phenobarbital hydrate, Calcium aluminum oxide hydrate, Ci2Hi2N203-H20 88 Ca4Al60i3-3H20 25 Calcium aluminum silicate hydrate, Cumulative indices chabazite, Ca2Al4Sig024*12H20 27 Calcium silicate (larnite), (Circular 539, Volumes 1-10 and Monograph 25, p-Ca2Si04 29 Sections 1-19 inclusive) Calcium silicon fluoride hydrate, CaSiF6-2H20 31 1. Inorganic 90 Cesium iodide, Cslg 33 2. Organic formula 106 Cesiiim molybdenum oxide, CS2M03O10 •• 35 3. Organic name 109 Chromium boride, CrB2 37 4. Mineral 112 Chromium niobium oxide, CrNb04 38 Cobalt arsenate hydrate (erythrite) Co3(As04)2-8H20 39 Cobalt phosphate hydrate, Co3(P04)2-8H20 40 Erbium iron, ErFe2 42 Ethylenediamine Hydrochloride, C2H8N2-2HC1 43 Ethylenediaminetetraacetic Acid, C10H12N2O8 45 Hafnium nitride, HfN .. 46 p-Iodobenzoic Acid, C7H5IO2 47 Iron aluminum oxide (hercynite), FeAl204 48 Iron antimony oxide, FeSb04 49 Iron chromium oxide (chromite) FeCr204 50 Lithium zirconium oxide, Li2Zr03 .... 51 Magnesium arsenate hydrate (hoernesite) , Mg3(As04)2 •8H2O 53 Magnesium phosjphate (farringtonite) Mg3(P04)2 55 Manganese tartrate, C4H4Mn06 57 Molybdenum silicide, MosSis 59 Nickel arsenate hydrate (annabergite) Ni3(As04)2-8H20 60 Nickel molybdenum oxide, NiMo04 62 Nickel phosphate hydrate, Ni3(P04)2-8H20 64 Nickel sulfate hydrate (nickel-hexa- hydrite), p-NiS04-6H20 65 Niobium, Nb 67 Potassium barium phosphate, KBaP04 68 Potassium calcium phosphate, KCaP04 70 iii . STANDARD X-RAY DIFFRACTION POWDER PATTERNS Publications Available Previous work has been published as a book entitled Powder Diffraction Data from the Joint Committee on Powder Diffraction Standards Associateship at the National Bureau of Standards (1976) (obtainable from the publisher: JCPDS-- International Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081, price furnished on request). The volume is sold with an accompanying search manual, and contains 9A9 card images of patterns of experimental data, published originally as Circular 539 (vols. 1-10) and Mono- graph 25, Sections 1-12, and most of Section 13. Individual copies of the Circular and Monograph are still available and may be obtained from the National Technical Information Service, 5285 Port Royal Road, Springfield, VA 22161. If a publication listed below is identified with a number, use this number in ordering. All are available in photocopy or microfiche; the price is not fixed and will be furnished on request. NBS Publication Order Number NBS Publication Order Number Circular 539, Volume 1 PB 178 902 Monograph 25, Section 1 PB 178 429 Volume 2 PB 178 903 Section 2 PB 178 430 Volume 3 PB 178 904 Section 3 PB 178 431 Volume 4 PB 178 905 Section 4 (order by section #) Volume 5 PB 178 906 Section 5 " Volume 6 PB 178 907 Section 6 " " Volume 7 PB 178 908 Section 7 Volume 8 PB 178 909 Section 8 PB 194 872 Volume 9 PB 178 910 Section 9 COM 72-50002 Volume 10 PB 178 911 Section 10 COM 72-51079 Section 11 COM 74-50183 Section 12 COM 75-50162 Section 13 PB 254 073 Section 14 PB 272 372 Section 15 PB 287 182 Also, until the present supply is exhausted, the following issues are for sale from the Superinten- dent of Documents, U.S. Government Printing Office, Washington, DC 20402. Order by given catalog number, and add 25% to the price, for other than U.S. mailing. Catalog Number Price Section 12 SN 003-003-01376-5 $1.50 Section 14 SN 003-003-01842-2 2.75 Section 15 SN 003-003-01986-1 4.00 Section 16 SN 003-003-02128-8 5.00 Section 17 SN 003-003-02253-5 4.50 Section 18 SN 003-003-02370-1 5.50 ERRATA Circular 539 Volume 8, p. 67: A least squares refinement of the d's gives results: a=6. 8837(2), c=6. 0197(5). Several of the hkJK's need to be changed for angles higher than 100°. Monograph 25 Section 11. P- 18: Density should be 2.197. P- 56: Density should be 2.733. Section 17, p. The correct formula for a? is: i 2 - <i>,) P- 32 Z should be 4. P- 34 Density should be 1.608. Section 18, P- 3 Figure 2 is upside down. P- 9 The value c/b should be 0.3548, and the calculated