Materials Data on AcPdO3 by Materials Project

Abstract

AcPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to twelve equivalent O atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Ac–O bond lengths are 2.89 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.05 Å. O is bonded to four equivalent Ac and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing OAc4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.