Materials Data on Ca2PbO4 by Materials Project
Ca2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.84 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.28 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OCa4Pb trigonal bipyramids.
36 MATERIALS SCIENCE↗