Structures and phase transitions of trigonal ZrMo₂O₈ and HfMo₂O₈

Abstract

This paper describes the structures, thermal-expansion properties and phase transitions of the trigonal forms of ZrMo(2)O(8) and HfMo(2)O(8). Both phases adopt a P(-)3m structure at room temperature and show positive thermal expansion. Both phases also undergo a displacive phase transition at high temperature (ZrMo(2)O(8) at 487 K and HfMo(2)O(8) at 463 K) to a higher-symmetry structure that has lower thermal expansion. The structure of the high-temperature alpha'-AMo(2)O(8) form (A = Zr and Hf) has been refined from powder diffraction data in space group P(-)3m1.