NATL INST OF STANDARDS & TECH R.I.C. NBS AlllDO =Jfifib30 PUBLICATIONS 100988630 Ku5°5lT25-13;1976 C.1 NBS-PUB-C 19 4^ ^ ^ 4» NBS MONOGRAPH 25 - SECTION 13 VI U.S. DEPARTMENT OF COMR/IERCE / 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 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 consists of the Institute for Basic Standards, the Institute for Materials Research, the Institute for Applied Technology, the Institute for Computer Sciences and Technology, and the Office for Information Programs. THE INSTITUTE FOR BASIC STANDARDS provides the central basis within the United States of a complete and consistent system of physical measurement; coordinates that system with measurement systems of other nations; and furnishes essential services leading to accurate and uniform physical measurements throughout the Nation's scientific community, industry, and commerce. The Institute consists of the Office of Measurement Services, the Office of Radiation Measurement and the following Center and divisions: Applied Mathematics — Electricity — Mechanics — Heat — Optical Physics — Center ° for Radiation Research: Nuclear Sciences: Applied Radiation — Laboratory Astrophysics — Cryogenics ' — Electromagnetics — Time and Frequency -'. THE INSTITUTE FOR MATERIALS RESEARCH conducts materials research leading to improved methods of measurement, standards, and data on the properties of well-characterized materials needed by industry, commerce, educational institutions, and Government; provides advisory and research services to other Government agencies; and develops, produces, and distributes standard reference materials. The Institute consists of the Office of Standard Reference Materials, the Office of Air and Water Measurement, and the following divisions: Analytical Chemistry — Polymers — Metallurgy — Inorganic Materials — Reactor Radiation — Physical Chemistry. THE INSTITUTE FOR APPLIED TECHNOLOGY provides technical services to promote the use of available technology and to facilitate technological innovation in industry and Government: cooperates with public and private organizations leading to the development of technological standards (including mandatory safety standards), codes and methods of test; and provides technical advice and services to Government agencies upon request. The Insti- tute consists of the following divisions and Centers: Standards Application and Analysis — Electronic Technology — Center for Consumer Product Technology: Product Systems Analysis: Product Engineering — Center for Building Technology: Structures, Materials, and Life Safety: Building Environment; Technical Evalua- tion and Application — Center for Fire Research: Fire Science: Fire Safety Engineering. THE INSTITUTE FOR COMPUTER SCIENCES AND TECHNOLOGY conducts research and provides technical services designed to aid Government agencies in improving cost effec- tiveness in the conduct of their programs through the selection, acquisition, and effective utilization of automatic data processing equipment: and serves as the principal focus within the executive branch for the development of Federal standards for automatic data processing equipment, techniques, and computer languages. The Institute consists of the following divisions: Computer Ser\ ices — Systems and Software — Computer Systems Engineering — Informa- tion Technology. THE OFFICE FOR INFORMATION PROGRAMS promotes optimum dissemination and accessibility of scientific information generated within NBS and other agencies of the Federal Government; promotes the development of the National Standard Reference Data System and a system of information analysis centers dealing with the broader aspects of the National Measurement System; provides appropriate services to ensure that the NBS staff has optimum accessibility to the scientific information of the world. The Office consists of the following organizational units: Office of Standard Reference Data — Office of Information Activities — Office of Technical Publications — Library — Office of International Relations — Office of International Standards. 1 Headquarters and Laboratories at Gaithersburg. Maryland, unless olherwise noted; mailing address Washington. D C. 20234. -' Located at Boulder. Colorado 80302. Standards , C'jreau of CHT 7 1977 06 Standard X-ray Diffraction ':> Powder Patterns Section 13-Data for 58 Substances ^ Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Johan H. de Groot, Camden R. Hubbard and Simon J. Carmel Institute for Materials Research National Bureau of Standards Washington, D.C. 20234 U.S. DEPARTMENT OF COMMERCE, Elliot L. Richardson, SBcrG\ary Dr. Betsy Ancker-Johnson, ksshiaT\\ Secretary for Science and Technology NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Ac/ing D/recfor Issued June 1 976 Library of Congress Catalog Card Number: 53-61386 National Bureau of Standards Monograph 25 Section 13—Data for 58 Substances Nat. Bur. Stand. (U.S.), Monogr. 25—Sec. 13, 114 pages (June 1976) CODEN: NBSMA6 U.S. GOVERNMENT PRINTING OFFICE WASHINGTON: 1976 For sale by the Superintendent of Documents, U.S. Government Printing Office, Washington, D.C. 20402 (Order by SD Catalog No. C] 3.44:25/Sec. 13). Price $1.80 (Add 25 percent additional for other than U.S. mailing). , , , CONTENTS Page Page Introduction 1 Cobalt gallium tantalum, Co2GaTa... 76 Cobalt gallium titanium, Co2GaTi... 77 Experimental patterns: Cobalt gallium vanadium, Co2GaV.... 78 Cobalt germanium manganese Arsenic iodide, ASI3 7 C02GeMn 79 Barium silicate, g-BaSi03 8 Cobalt germanium titanium, Co2GeTi. 80 Barium silicate, (sanbornite) Cobalt indium, CoIn3 81 3-BaSi205 10 Cobalt lanthanum, CoLa3 83 Barium silicate, Ba2SiOi^ 12 Cobalt lutetium, C02LU 86 Barium silicate, Ba2Si303 13 Cobalt neodymium, C02Nd 87 Barium silicate, Ba3Si05 15 Cobalt nickel tin, Barium silicate, Ba3Si50]^3 17 C0.75Ni.75Sn.75 88 Cadmiim silicate, Cd2SiO[^ 19 Cobalt samarium, CosSm 90 Cadmium silicate, Cd3Si05 20 Cobalt tin, Co3Sn2 92 Calcixmi hydrogen phosphate hydrate, Ca8H2 (POi^) 5'5H20 21 Cumulative indices Cobalt phosphate, Co(P03)2 23 (Circular 539, Volumes 1-10 and Copper imidazole nitrate, Monograph 25, Sections 1-13 inclusive) Cu(C3HitN2)it(N03)2 24 Lead chloride fluoride (matlockite) 1. Inorganic 94 PbClF 25 2. Organic 107 Magnesium phosphate, Mg(P03)2 26 3. Mineral 108 Magnesium tungsten oxide, MgWOi^..... 27 Mercury chloride, HgCl2 29 Mercury chloride (calomel), Hg2Cl2. 30 Nickel acetate hydrate, Ni (C2H3O2) 2*4H20 31 Potassium lead chloride, KPb2Cl5... 33 Potassiiim platinum chloride, K2PtCl6 34 Silicon, Si 35 Silver carbonate, Ag2C0 3 36 Silver sulfate, Ag2S04 37 Sodium phosphate hydrate, a-Na4Pi^Oi2*4H20 39 Strontium hydroxide, Sr(0H)2 41 Strontium hydroxide hydrate, Sr(OH)2*H20 42 Strontium hydroxide hydrate, Sr(OH)2*8H20 43 Strontium silicate, Sr3Si05 44 Tin hydrogen phosphate, SnHPOi^ 46 Zinc borate, Zni^B50]^3 48 Zinc titanium oxide, ZnTi03 49 Calculated patterns: Cerium cobalt, CeCo2 50 Cerium cobalt, Ce24Cou 51 Cerium gallium, CeGa2 54 Ceriimi magnesium, CeMg3 56 Cerium nickel, CeNi2 58 Cerium thallium, CeTl 59 Cerium thallium, CeTl3 60 Cerium thallium, Ce3Tl 61 Cobalt dysprosium, Co2Dy 63 Cobalt erbium, Co2Er 64 Cobalt erbium, Co7Er2 65 Cobalt gadolinium, CoGd3 68 Cobalt gadolinium, Co2Gd 71 Cobalt gadolinium, C07Gd2 72 Cobalt gallium manganese, Co2GaMn.. 75 iii STANDARD X-RAY DIFFRACTION POWDER PATTERNS The following copies may be obtained from the National Technical Information Service, 5285 Port Royal Road, Springfield, Virginia, 22161. Where these publications are identified with a number, it must be used in ordering. They are available in hardcopy or microfiche; the price is not fixed and will be furnished on request. Also, until the present supply is exhausted, the publication numbers marked by an asterisk are for sale from the Superintendent of Documents, U. S. Government Printing Office, Washington, D. C. 20402. Order respectively by SD catalog No. C13.44:25/Sec. 11, Price $1.55 or SD catalog No. C13.44:25/Sec. 12, Price $1.50, NBS Publication Number NBS Pxiblication 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 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 iv . e . STANDARD X-RAY DIFFRACTION POWDER PATTERNS Section 13. Data for 58 Siobstances by Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, and Johan H. de Groot Joint Conmittee on Powder Diffraction Standards and Camden R. Hubbard and Simon J. Carmel National Bureau of Standards Standard x-ray diffraction patterns are presented for 58 substances. Thirty- one of these patterns represent experimental data and 27 are calculated. The experimental x-ray powder diffraction patterns