LiBaAlF6 and the crystal chemistry of LiAIIBIIIF6 phases

Lithium barium hexafluoroaluminate (LBAF), LiBaAlF6, is a new member of the large family of compounds of formula LiAIIBIIIF6. These materials display a variety of structures depending on the sizes of the A and B cations. LiBaAlF6, which is isomorphous with LiBaCoF6, belongs to the monoclinic P21/c s...

Full description

Saved in:
Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2008-07, Vol.64 (7), p.i66-i68
Main Authors: Merkulov, Alexander A., Isaenko, Ludmila I., Lobanov, Sergey I., Naumov, Dmitry Yu, Kuratieva, Natalia V.
Format: Article
Language:English
Subjects:
Chemical compounds
Chemistry
Crystal structure
Crystallography
Lithium
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Lithium barium hexafluoroaluminate (LBAF), LiBaAlF6, is a new member of the large family of compounds of formula LiAIIBIIIF6. These materials display a variety of structures depending on the sizes of the A and B cations. LiBaAlF6, which is isomorphous with LiBaCoF6, belongs to the monoclinic P21/c subset and has a three‐dimensional network structure consisting of distorted LiF43− tetrahedra corner‐sharing with AlF63− octahedra and BaF12 polyhedra. All of the atoms reside on general positions. An analysis of the ionic radii of the A cations versus formula volumes for the known members of the family yields a structure map that reasonably segregates the compounds by space group. The data obtained are thus suitable for predicting new isomorphic crystal structures.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270108017538