Ca2PbO4 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Pb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing PbO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Ca(1) and two equivalent Pb(1) atoms to form distorted OCa3Pb2 trigonal bipyramids that share corners with four equivalent O(1)Ca4Pb trigonal bipyramids, corners with eight equivalent O(2)Ca3Pb2 trigonal bipyramids, edges with two equivalent O(2)Ca3Pb2 trigonal bipyramids, and edges with six equivalent O(1)Ca4Pb trigonal bipyramids. In the second O site, O(1) is bonded to four equivalent Ca(1) and one Pb(1) atom to form distorted OCa4Pb trigonal bipyramids that share corners with four equivalent O(2)Ca3Pb2 trigonal bipyramids, corners with five equivalent O(1)Ca4Pb trigonal bipyramids, edges with four equivalent O(1)Ca4Pb trigonal bipyramids, and edges with six equivalent O(2)Ca3Pb2 trigonal bipyramids.
Ca2PbO4 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are a spread of Ca(1)-O(2) bond distances ranging from 2.35-2.81 Å. All Ca(1)-O(1) bond lengths are 2.40 Å. Pb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing PbO6 octahedra. Both Pb(1)-O(1) bond lengths are 2.13 Å. All Pb(1)-O(2) bond lengths are 2.25 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Ca(1) and two equivalent Pb(1) atoms to form distorted OCa3Pb2 trigonal bipyramids that share corners with four equivalent O(1)Ca4Pb trigonal bipyramids, corners with eight equivalent O(2)Ca3Pb2 trigonal bipyramids, edges with two equivalent O(2)Ca3Pb2 trigonal bipyramids, and edges with six equivalent O(1)Ca4Pb trigonal bipyramids. In the second O site, O(1) is bonded to four equivalent Ca(1) and one Pb(1) atom to form distorted OCa4Pb trigonal bipyramids that share corners with four equivalent O(2)Ca3Pb2 trigonal bipyramids, corners with five equivalent O(1)Ca4Pb trigonal bipyramids, edges with four equivalent O(1)Ca4Pb trigonal bipyramids, and edges with six equivalent O(2)Ca3Pb2 trigonal bipyramids.