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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.

zeitschrift für naturforschung b

Über die Strukturen der CuZrF 6 -Modifikationen - Neutronenbeugungsuntersuchungen an den Kristallpulvern / A Neutron Diffraction Study on the Modifications of CuZrF 6