MgCoMnO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Mn(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mn(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgMn2Co tetrahedra.
MgCoMnO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Both Mg(1)-O(2) bond lengths are 2.00 Å. All Mg(1)-O(1) bond lengths are 2.11 Å. Mn(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. All Mn(1)-O(2) bond lengths are 1.92 Å. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Both Co(1)-O(2) bond lengths are 2.28 Å. All Co(1)-O(1) bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mn(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgMn2Co tetrahedra.