Materials Data on Pb2O3 by Materials Project

Pb2O3 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three 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 45–46°. There are a spread of Pb–O bond distances ranging from 2.23–2.25 Å. In the second Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing PbO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–81°. There are a spread of Pb–O bond distances ranging from 2.33–2.75 Å. In the third Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing PbO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–81°. There are a spread of Pb–O bond distances ranging from 2.34–2.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 trigonal pyramids. In the fourth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 trigonal pyramids.