Strukturelle Modifikationen von FeZrF6

Abstract

Abstract As many other compounds of the stochiometry MIIMeIVF6 FeZrF6 exhibits a transition from the cubic high-temperature to a hexagonal low-temperature phase. The former is of the ordered ReO3-type [space group Fm3m] with Fe–F- and Zr–F-bond lengths of 205 and 199 pm respectively, while the latter crystallises in the LiSbF6-structure [space group R[unk]m] with similar bond distances. The linear Fe–F–Zr-bridges of the cubic phase are bent below the phase transition. The geometrical data are in good agreement with spectroscopic and structural results, previously obtained on FeZrF6 powder samples.