Materials Data on Cs2PbO3 by Materials Project
Cs2PbO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.63 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are one shorter (2.07 Å) and four longer (2.23 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Pb4+ atoms to form a mixture of distorted edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–48°.