Abstract
Abstract The crystal structure of orthorhombic (Pbnm) YAlO3 perovskite has been investigated between 0 and 4 GPa using single-crystal X-ray diffraction in a diamond anvil cell. The compression of the structure is anisotropic with β a = 1.40(4) × 10−3 GPa−1, β b = 1.99(6) × 10−3 GPa−1 and β c = 1.52(5) × 10−3 GPa−1. The dominant compression mechanism involves shortening of the octahedral Al-O bond, but the compression of the octahedra is counteracted by increased interoctahedral tilting in the bc-plane. The octahedral tilting results in expansion of the YO12 site relative to the AlO6 site (B dod > β oct). The distortion of the structure decreases slightly with pressure, and the distortion of the AlO6 octahedra also decreases with pressure. The implications for other GdFeO3-type perovskites is discussed.
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