CaCu3(SnO3)4 crystallizes in the cubic Im-3 space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share faces with eight equivalent Sn(1)O6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded to one Ca(1), one Cu(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OCaCuSn2 tetrahedra.
CaCu3(SnO3)4 crystallizes in the cubic Im-3 space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share faces with eight equivalent Sn(1)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.72 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.99 Å. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. All Sn(1)-O(1) bond lengths are 2.09 Å. O(1) is bonded to one Ca(1), one Cu(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OCaCuSn2 tetrahedra.