LiMn7O12 crystallizes in the cubic Im-3 space group. Li(1) is bonded to twelve equivalent O(1) atoms to form LiO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Li(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms.
LiMn7O12 crystallizes in the cubic Im-3 space group. Li(1) is bonded to twelve equivalent O(1) atoms to form LiO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. All Li(1)-O(1) bond lengths are 2.68 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Li(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Mn(1)-O(1) bond lengths are 1.98 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Mn(2)-O(1) bond lengths are 1.95 Å. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms.