Materials Data on KPd2O3 by Materials Project

Abstract

KPd2O3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are three shorter (2.70 Å) and three longer (2.82 Å) K–O bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in an octahedral geometry to six equivalent O atoms. All Pd–O bond lengths are 2.07 Å. In the second Pd site, Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.06 Å. O is bonded to two equivalent K and three Pd atoms to form a mixture of distorted edge and corner-sharing OK2Pd3 trigonal bipyramids.