Materials Data on Pb2O3 by Materials Project

Abstract

Pb2O3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pb2O3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are a spread of Pb–O bond distances ranging from 2.03–2.46 Å. In the second Pb3+ site, Pb3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pb3+ atoms. In the second O2- site, O2- is bonded to five Pb3+ atoms to form a mixture of corner and edge-sharing OPb5 square pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Pb3+ atoms.