Mn(CoO2)4 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), and two equivalent Co(3) atoms.
Mn(CoO2)4 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. Both Mn(1)-O(1) bond lengths are 1.94 Å. All Mn(1)-O(2) bond lengths are 1.91 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Both Co(1)-O(3) bond lengths are 2.04 Å. All Co(1)-O(2) bond lengths are 2.10 Å. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Both Co(2)-O(3) bond lengths are 2.05 Å. All Co(2)-O(2) bond lengths are 2.06 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. Both Co(3)-O(1) bond lengths are 1.90 Å. Both Co(3)-O(2) bond lengths are 1.92 Å. Both Co(3)-O(3) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), and two equivalent Co(3) atoms.