Materials Data on CdPd2O3 by Materials Project

Abstract

Pd2CdO3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.11 Å) and two longer (2.31 Å) Pd–O bond lengths. Cd2+ is bonded to six O2- atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.11 Å) and four longer (2.31 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Pd2+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to four equivalent Pd2+ and two equivalent Cd2+ atoms to form corner-sharing OCd2Pd4 octahedra. The corner-sharing octahedral tilt angles are 0°.