Materials Data on ZnPbO3 by Materials Project

Abstract

ZnPbO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 octahedra that share corners with three equivalent PbO6 octahedra, corners with six equivalent ZnO6 octahedra, edges with three equivalent PbO6 octahedra, and a faceface with one PbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are three shorter (2.05 Å) and three longer (2.32 Å) Zn–O bond lengths. Pb4+ is bonded to six equivalent O2- atoms to form distorted PbO6 octahedra that share corners with three equivalent ZnO6 octahedra, corners with six equivalent PbO6 octahedra, edges with three equivalent ZnO6 octahedra, and a faceface with one ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are three shorter (2.18 Å) and three longer (2.28 Å) Pb–O bond lengths. O2- is bonded to two equivalent Zn2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OZn2Pb2 trigonal pyramids.