CaCu3(SbO3)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 Sb(1)O6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded to one Ca(1), one Cu(1), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OCaCuSb2 tetrahedra.
CaCu3(SbO3)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 Sb(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 2.07 Å. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Sb(1)-O(1) bond lengths are 2.08 Å. O(1) is bonded to one Ca(1), one Cu(1), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OCaCuSb2 tetrahedra.