Preparation and Rietveld refinement of the structure of β-Li3AlF6

被引：22
|
作者：
Tyagi, AK
Kohler, J
机构：
[1] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany
[2] Bhabha Atom Res Ctr, Div Appl Chem, Bombay 400085, Maharashtra, India
来源：
MATERIALS RESEARCH BULLETIN | 1997年 / 32卷 / 12期
关键词：
fluorides; chemical synthesis; crystal structure;
D O I：
10.1016/S0025-5408(97)00163-3
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The beta-modification of Li3AlF6 has been prepared by heating an appropriate mixture of LiF and AlF3 at 820 degrees C under argon atmosphere and subsequently slow cooling it to room temperature. beta-Li3AlF6 is isotypic to beta-Li3VF6 and crystallizes in C2/c with a = 14.201(1) Angstrom, b = 8.387(1) Angstrom, c = 9.860(1) Angstrom, and beta = 94.07(1)degrees. The structural parameters have been refined by Rietveld analysis from powder data. A comparison of the structures of beta-Li3AlF6 and beta-Li3TiF6 is made for the analysis of a static Jahn-Teller effect within quasi-isolated [TiF6](3-) octahedra. Calculations of the Madelung part of the lattice energy were performed to discuss the chemical bonding. (C) 1997 Elsevier Science Ltd.
引用
收藏
页码：1683 / 1689
页数：7
相关论文
共 50 条
  • [41] Crystal structure of zirconia by Rietveld refinement
    Daning Wang
    Yongquan Guo
    Kaiming Liang
    Kun Tao
    Science in China Series A: Mathematics, 1999, 42 : 80 - 86
  • [42] Rietveld refinement of a wrong crystal structure
    Buchsbaum, Christian
    Schmidt, Martin U.
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2007, 63 (06): : 926 - 932
  • [43] Strontium in the collinsite structure: Rietveld refinement
    O. V. Yakubovich
    Yu. K. Kabalov
    P. G. Gavrilenko
    R. P. Liferovich
    W. Massa
    Crystallography Reports, 2003, 48 : 226 - 232
  • [44] Crystal structure of zirconia by Rietveld refinement
    王大宁
    郭永权
    梁开明
    陶琨
    Science China Mathematics, 1999, (01) : 80 - 86
  • [45] Crystal structure of zirconia by Rietveld refinement
    Wang, DN
    Guo, YQ
    Liang, KM
    Tao, K
    SCIENCE IN CHINA SERIES A-MATHEMATICS, 1999, 42 (01): : 80 - 86
  • [46] Strontium in the collinsite structure: Rietveld refinement
    Yakubovich, OV
    Kabalov, YK
    Gavrilenko, PG
    Liferovich, RP
    Massa, W
    CRYSTALLOGRAPHY REPORTS, 2003, 48 (02) : 226 - 232
  • [47] PHASE-DIAGRAMS OF LIF-ALF3, NAF-ALF3, AND LI3ALF6-NA3ALF6 SYSTEMS - SURVEY AND COMPUTATIONS
    PELTON, AD
    LIN, PL
    CERISIER, P
    SABOUNGI, ML
    JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1978, 125 (03) : C161 - C161
  • [48] A comparison of the X-ray single-crystal structure of Li3SbO4 with the Rietveld refinement
    Bernès, S
    Tovar, ST
    Castellanos, MA
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 2001, 57 : 883 - 884
  • [49] ELECTRON STRUCTURE OF ALF-/4 AND ALF3/6
    ROZENBER.EL
    DYATKINA, ME
    ZHURNAL STRUKTURNOI KHIMII, 1971, 12 (03): : 548 - +
  • [50] Crystal structure of Ba2InTaO6 as determined by the Rietveld refinement
    Hammink, T. S.
    Fu, W. T.
    Ijdo, D. J. W.
    JOURNAL OF SOLID STATE CHEMISTRY, 2011, 184 (04) : 848 - 851
12345