Kristallstruktur des Li2MnCl4 / The Crystal Structure of Li2MnCl4

Abstract

The crystal structure of the spinel type fast ionic conductor Li2MnCl4 is redetermined by single crystal X-ray diffraction with respect to both cation distribution and Frenkel disorder. The final R value for 166 unique reflections is 0.029 (space group Fd3m, structural parameter u = 0.25623(3), a = 1050.27(5) pm). Contrary to the results based on neutron powder data (van Loon and de Jong, 1975) Li2MnCl4 is fully inverse. The thermal ellipsoids of the ions involved are discussed in terms of the lattice vibrations of the spinel structure and the mobility of the lithium ions.