Materials Data on Sr2PdO3 by Materials Project

Abstract

Sr2PdO3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form a mixture of distorted corner, edge, and face-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.48–2.71 Å. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.08 Å) Pd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Pd2+ atoms to form OSr4Pd2 octahedra that share corners with fourteen OSr4Pd2 octahedra, edges with two equivalent OSr4Pd2 octahedra, and faces with four equivalent OSr5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Pd2+ atom to form OSr5Pd octahedra that share corners with eleven OSr4Pd2 octahedra, edges with eight equivalent OSr5Pd octahedra, and faces with two equivalent OSr4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.