Materials Data on Pb2O3 by Materials Project

Abstract

Pb2O3 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Pb–O bond distances ranging from 2.15–2.26 Å. In the second Pb3+ site, Pb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–3.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Pb3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Pb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to four Pb3+ atoms.