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.
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页码：1683 / 1689
页数：7
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