CaPtO3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Pt(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ca(1) and two equivalent Pt(1) atoms to form distorted OCa3Pt2 trigonal bipyramids that share corners with four equivalent O(2)Ca2Pt2 tetrahedra, corners with nine equivalent O(1)Ca3Pt2 trigonal bipyramids, edges with three equivalent O(2)Ca2Pt2 tetrahedra, and edges with six equivalent O(1)Ca3Pt2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Pt(1) atoms to form distorted OCa2Pt2 tetrahedra that share corners with four equivalent O(2)Ca2Pt2 tetrahedra, corners with eight equivalent O(1)Ca3Pt2 trigonal bipyramids, and edges with six equivalent O(1)Ca3Pt2 trigonal bipyramids.
CaPtO3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Both Ca(1)-O(2) bond lengths are 2.29 Å. There are four shorter (2.48 Å) and two longer (2.50 Å) Ca(1)-O(1) bond lengths. Pt(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Pt(1)-O(2) bond lengths are 2.02 Å. All Pt(1)-O(1) bond lengths are 2.05 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ca(1) and two equivalent Pt(1) atoms to form distorted OCa3Pt2 trigonal bipyramids that share corners with four equivalent O(2)Ca2Pt2 tetrahedra, corners with nine equivalent O(1)Ca3Pt2 trigonal bipyramids, edges with three equivalent O(2)Ca2Pt2 tetrahedra, and edges with six equivalent O(1)Ca3Pt2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Pt(1) atoms to form distorted OCa2Pt2 tetrahedra that share corners with four equivalent O(2)Ca2Pt2 tetrahedra, corners with eight equivalent O(1)Ca3Pt2 trigonal bipyramids, and edges with six equivalent O(1)Ca3Pt2 trigonal bipyramids.