Materials Data on Rb3PbO3 by Materials Project

Abstract

Rb3PbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.20 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.41 Å. In the third Rb site, Rb is bonded in a 4-coordinate geometry to four equivalent O atoms. There are two shorter (2.97 Å) and two longer (3.24 Å) Rb–O bond lengths. Pb is bonded to four O atoms to form distorted edge-sharing PbO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.34 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three Rb and two equivalent Pb atoms. In the second O site, O is bonded to six Rb and one Pb atom to form a mixture of distorted corner, edge, and face-sharing ORb6Pb pentagonal bipyramids.