Materials Data on TePbO3 by Materials Project

Abstract

PbTeO3 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. Pb2+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PbO6 pentagonal pyramids. There are a spread of Pb–O bond distances ranging from 2.28–2.75 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pb2+ and one Te4+ atom.