Über die Strukturen der CuZrF₆-Modifikationen - Neutronenbeugungsuntersuchungen an den Kristallpulvern / A Neutron Diffraction Study on the Modifications of CuZrF₆

Abstract

Abstract The structures of two modifications of CuZrF 6 by means of neutron diffraction on powder samples in the temperature range from 298-560 K are reported. All modifications consist of octahedra, which share corners in three dimensions and which are centered alternately by Cu 2+ or Zr 4+ . The high temperature α-modification crystallizes in space group Fm3 (No. 202) with α = 7.939 Å. There is experimental evidence, that the CuFe-octahedra are distorted by a static Jahn-Teller-effect. The space group P1̄ (No. 2) with Z = 2 is proposed for the low-temperature γ-modification.