MgCo2O4 crystallizes in the monoclinic C2/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 six equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMg2Co3 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Mg(1) and three equivalent Co(1) atoms.
MgCo2O4 crystallizes in the monoclinic C2/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 six equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Mg(1)-O(2) bond lengths are 2.10 Å. All Mg(1)-O(1) bond lengths are 2.12 Å. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There is one shorter (1.92 Å) and two longer (2.12 Å) Co(1)-O(1) bond lengths. There is one shorter (1.91 Å) and two longer (1.97 Å) Co(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMg2Co3 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Mg(1) and three equivalent Co(1) atoms.