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Standard X-Ray Diffraction Powder Patterns

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Standard X-Ray Diffraction Powder Patterns 0 UO100 .U556 V25-18;1981 C.1 NBS-PUB-C 19 ^ ^ NBS MONOGRAPH 2b-SECTI0N 1 Standard X-ray Diffraction Powder Patterns 100 .U555 NO. 18 Sect. 18 1981 NATIONAL BUREAU OF STANDARDS The National Bureau of Standards' was established by an act ot 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. THE NATIONAL MEASUREMENT LABORATORY provides the national system of physical and chemical and materials measurement; coordinates the system with measurement systems of other nations and furnishes essential services leading to accurate and uniform physical and chemical measurement throughout the Nation's scientific community, industry, and commerce; conducts materials research leading to improved methods of measurement, standards, and data on the properties of materials needed by industry, commerce, educational institutions, and Government; provides advisory and research services to other Government agencies; develops, produces, and distributes Standard Reference Materials; and provides calibration services. The Laboratory consists of the following centers: Absolute Physical Quantities^ — Radiation Research — Thermodynamics and Molecular Science — Analytical Chemistry — Materials Science. THE NATIONAL ENGINEERING LABORATORY provides technology and technical ser- vices to the public and private sectors to address national needs and to solve national problems; conducts research in engineering and applied science in support of these efforts; builds and maintains competence in the necessary disciplines required to carry out this research and technical service; develops engineering data and measurement capabilities; provides engineering measurement traceability services; develops test methods and proposes engineering standards and code changes; develops and proposes new engineering practices; and develops and improves mechanisms to transfer results of its research to the ultimate user. The Laboratory consists of the following centers: Applied Mathematics — Electronics and Electrical Engineering^ — Mechanical Engineering and Process Technology^ — Building Technology — Fire Research — Consumer Product Technology — Field Methods. 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. I BTTKE#BTTKEAU . ^ JJATIONAL |\J O^OnOC^Oup^i.—. Of STANDARSTANDARU8 UBBABT OCT 2 z 1981 Standard X-ray Diffraction Qt (oo Powder Patterns Section 18 — Data for 58 Substances Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos International Centre for Diffraction Data Camden R. Hubbard National Measurement Laboratory National Bureau of Standards Washington, DC 20234 jCPDb. International Centre for Diffraction Data U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director Issued October 1981 Library of Congress Catalog Card Number: 53-61386 National Bureau of Standards Monograph 25 Section 18—Data for 58 Substances Nat. Bur. Stand. (U.S.), Monogr. 25—Sec. 18, 110 pages (Oct. 1981) CODEN: NBSMA6 , , CONTENTS Page Page Introduction 1 Nickel titanium oxide, NiTiOs 54 Potassium fluoride hydrate, KF-2H20 ... 55 Experimental patterns: Potassium iron cyanide, K4Fe(CN)6 .... 56 Potassium vanadium oxide, KVO3 57 Aliuninum iron, AlFe 5 Silicon nitride, p-Si3N4 59 Anmoniiun cerium nitrate, Silicon oxide (quartz, low), a-Si02 ... 61 (NH4)2Ce(N03)6 6 Sodium aluminum oxide, p-NaA102 62 Ammonium tin fluoride, NH4SnF3 8 Sodium borate, NaB02 63 Arsenic bromide, AsBrs 9 Sodium niobium oxide (lueshite), Barium aluminum titanium oxide, NaNbOs 64 Bai ,23^12 .46^15 .54O16 10 Sodium nitrosyl iron cyanide hydrate, Barium manganese oxide, BaMn04 11 Na2(N0)Fe(CN)5-2H20 66 Barium neodymium titanium oxide, Sodium vanadium oxide, Of-NaVOs 67 BaNdaTigOio 12 Sodium vanadium oxide, p-NaVOs 68 Benzidine hydrochloride, Strontium iron oxide, SrFei20i9 69 Ci2Hi2N2-2HCl 14 Thorium carbide, ThC 71 Beryllium nitride, Be3N2 15 Thorium nitrate hydrate, Bismuth selenide (paraguanajuatite) Th(N03)4-5H20 72 Bi2Se3 16 Titanium carbide, TiC 73 Calcium borate, CaB204 17 Tungsten oxide, WO2 74 Calcium cyanamide, CaCN2 19 Uranium nitride , UN 75 Calcium iron oxide, CaFe204 20 Uranyl acetate hydrate, C4H60eU-2H20 . 76 Calcium sulfate hydrate (bassanite), Yttrium, Y 77 CaS04-0.5H20 22 Zinc acetate hydrate, C4H604Zn-2H20 ... 78 Carbamazepine, p-CisH^gNaO 24 Zirconium fluoride, ZrF4 79 Cerium niobium oxide Zirconium oxide chloride hydrate, CeNb04 25 • Zr0Cl2'8H20 81 Cerium tantalum oxide, CeTa04 27 Cesium magnesium titanium oxide, CSi.45Mgo.724Ti7.270i6 29 Cumulative indices Chromium boride, Cr5B3 30 Cobalt fluoride, CoFg 31 (Circular 539, Volumes 1-10 and Cobalt phosphide, CogP 32 Monograph 25, Sections 1-18 inclusive) Copper chloride hydrate (eriochalcite) CuCl2-2H20 33 1. Inorganic 82 Iodoform, CHI3 34 2. Organic formula 99 Iron boride, FeB 35 3. Organic name 101 Iron fluoride, FeFs 36 4. Mineral 103 Iron oxide (hematite) , a-Fe203 37 Iron yttrium oxide, Fe5Y30i2 38 Lithium iodide hydrate, Lil -31120 .... 40 Magnesium phosphate, a-Mg2P207 41 Manganese, p-Mn 43 Molybdenum oxide, M0O2 44 Neodymium tantalum oxide NdTa04 .... 46 , Neodymium titanium oxide, Nd2Ti05 .... 48 Neodymium titanium oxide, Nd2Ti207 ... 50 Neodymium titanium oxide, Nd4Ti9024 ... 52 iii STANDARD X-RAY DIFFRACTION POWDER PATTERNS 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) (JCPDS — Inter- national Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081). The volume is sold with an accompnaying search manual, and contains 949 card images of patterns of experimental data, published orig- inally as Circular 539 (vols. 1-10) and Monograph 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, it must be used in ordering. All are available in hardcopy or microfiche; the price is not fixed and will be furnished on request. NBS Publication Number NBS Publication 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 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 13 SN 003-003-01629-2 1.80 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 No Catalog Number Issued 4.50 ERRATA Monograph 25 Section 9, pp. 73,74: Much of the data is incorrect. See a corrected pattern in this issue. Section 15, P- 136 The correct year should be 1970 for the reference to Fletcher et al. Section 17, P- 41 The color should be light grayish yellowish brown. P- 62 Under "Structure," the date should be 1967 for reference to Katz and Megaw. J. Crystallogr , add 89. P- 64 Under "References," after Appl. 2, P- 70 Under "Synonym," at line 1, delete hydrate. P- 70 Under "Lattice constants," the value for c should be 5.567. pp. 103,104: The text is out of order. Page 104 should precede page 103. iv ^ . STANDARD X-RAY DIFFRACTION POWDER PATTERNS Section 18 Data for 58 Substances by Marlene C. Morris, Howard F.
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