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A high-pressure phase of CaRhO 3  stable between perovskite and post-perovskite in P-T space was synthesized at 17 GPa and 1650 °C using a multi-anvil apparatus. The crystal structure of CaRhO 3  was solved by the structure prediction evolutionary algorithm and was refined by Rietveld analysis of the synchrotron powder X-ray diffraction pattern, along with transmission electron microscopy observations. The structure is monoclinic with lattice parameters of a = 12.5114(1) Å, b = 3.1241(1) Å, c = 8.8579(1) Å, β = 103.951(1)°, V = 336.01(1) Å 3  with space group P2 1 /m. The structure contains edge-sharing RhO 6  octahedral chains along the b-axis. The six RhO 6  octahedral chains make a unit, which stacks up alternatively with the CaO 8  polyhedral layer along the [101] direction to form the structure of CaRhO 3  intermediate phase.

Crystal structure of CaRhO 3 polymorph: High-pressure intermediate phase between perovskite and post-perovskite