New high-pressure phase and equation of state of Ce2Zr2O8

Abstract

In this paper we report a new high-pressure rhombohedral phase of Ce2Zr2O8 observed from high-pressure angle-dispersive x-ray diffraction and Raman spectroscopy studies up to nearly 12 GPa. The ambient-pressure cubic phase of Ce2Zr2O8 transforms to a rhombohedral structure beyond 5 GPa with a feeble distortion in the lattice. Pressure evolution of unit-cell volume showed a change in compressibility above 5 GPa. The unit-cell parameters of the high-pressure rhombohedral phase at 12.1 GPa are ah = 14.6791(3) {\AA}, ch = 17.9421(5) {\AA}, V = 3348.1(1) {\AA}3. The structure relation between the parent cubic (P2_13) and rhombohedral (P3_2) phases were obtained by group-subgroup relations. All the Raman modes of the cubic phase showed linear evolution with pressure with the hardest one at 197 cm-1. Some Raman modes of the high-pressure phase have a non-linear evolution with pressure and softening of one low-frequency mode with pressure is found. The compressibility, equation of state, and pressure coefficients of Raman modes of Ce2Zr2O8 are also reported.Comment: 33 pages, 8 figures, 6 table