Ca2SnO4 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. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing SnO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Ca(1) and two equivalent Sn(1) atoms to form distorted OCa3Sn2 trigonal bipyramids that share corners with four equivalent O(1)Ca4Sn trigonal bipyramids, corners with eight equivalent O(2)Ca3Sn2 trigonal bipyramids, edges with two equivalent O(2)Ca3Sn2 trigonal bipyramids, and edges with six equivalent O(1)Ca4Sn trigonal bipyramids. In the second O site, O(1) is bonded to four equivalent Ca(1) and one Sn(1) atom to form distorted OCa4Sn trigonal bipyramids that share corners with four equivalent O(2)Ca3Sn2 trigonal bipyramids, corners with five equivalent O(1)Ca4Sn trigonal bipyramids, edges with four equivalent O(1)Ca4Sn trigonal bipyramids, and edges with six equivalent O(2)Ca3Sn2 trigonal bipyramids.
Ca2SnO4 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 2.36-2.78 Å. All Ca(1)-O(1) bond lengths are 2.36 Å. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing SnO6 octahedra. Both Sn(1)-O(1) bond lengths are 2.03 Å. All Sn(1)-O(2) bond lengths are 2.15 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Ca(1) and two equivalent Sn(1) atoms to form distorted OCa3Sn2 trigonal bipyramids that share corners with four equivalent O(1)Ca4Sn trigonal bipyramids, corners with eight equivalent O(2)Ca3Sn2 trigonal bipyramids, edges with two equivalent O(2)Ca3Sn2 trigonal bipyramids, and edges with six equivalent O(1)Ca4Sn trigonal bipyramids. In the second O site, O(1) is bonded to four equivalent Ca(1) and one Sn(1) atom to form distorted OCa4Sn trigonal bipyramids that share corners with four equivalent O(2)Ca3Sn2 trigonal bipyramids, corners with five equivalent O(1)Ca4Sn trigonal bipyramids, edges with four equivalent O(1)Ca4Sn trigonal bipyramids, and edges with six equivalent O(2)Ca3Sn2 trigonal bipyramids.