Materials Data on CoPbO3 by Materials Project

Abstract

CoPbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent O2- atoms to form distorted CoO6 octahedra that share corners with nine equivalent PbO6 pentagonal pyramids, edges with three equivalent CoO6 octahedra, and a faceface with one PbO6 pentagonal pyramid. There are three shorter (2.08 Å) and three longer (2.19 Å) Co–O bond lengths. Pb2+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with nine equivalent CoO6 octahedra, edges with three equivalent PbO6 pentagonal pyramids, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are three shorter (2.17 Å) and three longer (2.33 Å) Pb–O bond lengths. O2- is bonded to two equivalent Co4+ and two equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OCo2Pb2 trigonal pyramids.