2018 Volume 60 Issue 1 Pages 32-39
High-pressure single-crystal X-ray diffraction measurement of cuprospinel CuFe2O4 was performed at beamline BL10A at the Photon Factory, KEK, Japan. With increasing pressure, the Cu position in the octahedral site moves toward the center of the octahedral coordination, which approaches to the regular octahedral geometry. This geometrical modification enhances the repulsion between eg orbital from the Cu2＋ and electrons from the ligand oxygen atoms. At 4.6 GPa, the cuprospinel with cubic structure is consequently transformed to a tetragonally distorted structure, in which the octahedral coordination is elongated along the c-axis with the Jahn-Teller effect of Cu2＋.