Materials Data on AgPdO3 by Materials Project

Abstract

PdAgO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Pd–O bond lengths. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.07–2.47 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted L-shaped geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pd4+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag2+ and one O2- atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pd4+ and two equivalent Ag2+ atoms.