Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 7 (July 2008)

inorganic compounds

 

LiBaAlF₆ and the crystal chemistry of LiA^IIB^IIIF₆ phases

A. A. Merkulov, L. I. Isaenko, S. I. Lobanov, D. Yu. Naumov and N. V. Kuratieva

Abstract: Lithium barium hexafluoroaluminate (LBAF), LiBaAlF₆, is a new member of the large family of compounds of formula LiA^IIB^IIIF₆. 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 LiF₄^3- tetrahedra corner-sharing with AlF₆^3- 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.

Formula: LiBaAlF₆

Copyright © International Union of Crystallography
IUCr Webmaster