CaMn7O12 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 Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and two equivalent Mn(2) atoms.
CaMn7O12 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 Mn(2)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Mn(1)-O(1) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn(2)-O(1) bond lengths are 1.96 Å. O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and two equivalent Mn(2) atoms.