MgCo2O4 is Spinel structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms.
MgCo2O4 is Spinel structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. Both Mg(1)-O(1) bond lengths are 2.00 Å. Both Mg(1)-O(2) bond lengths are 1.98 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. Both Co(1)-O(2) bond lengths are 1.90 Å. There are two shorter (1.95 Å) and two longer (2.18 Å) Co(1)-O(1) bond lengths. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Both Co(2)-O(1) bond lengths are 1.93 Å. There are two shorter (2.05 Å) and two longer (2.08 Å) Co(2)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms.