Title: Preparation and rietveld refinement of the structure of β-Li3AlF6
Abstract: The β-modification of Li3AlF6 has been prepared by heating an appropriate mixture of LiF and AlF3 at 820 °C under argon atmosphere and subsequently slow cooling it to room temperature. β-Li3AlF6 is isotypic to β-Li3VF6 and crystallizes inC2/c witha = 14.201(1)Å, b = 8.387(1)Å, c = 9.860(1)Å, and β = 94.07(1) °. The structural parameters have been refined by Rietveld analysis from powder data. A comparison of the structures of β-Li3AlF6 and β-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.
Publication Year: 1997
Publication Date: 1997-12-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 20
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