Materials Data on Pd(PbO3)2 by Materials Project

Abstract

Pd(PbO3)2 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.02 Å. Pb4+ is bonded to six O2- atoms to form distorted edge-sharing PbO6 pentagonal pyramids. There are a spread of Pb–O bond distances ranging from 2.20–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb4+ atoms to form edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All O–O bond lengths are 2.00 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pd4+, two equivalent Pb4+, and one O2- atom.