MgFeCoO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) 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)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Co(1) atoms to form a mixture of edge and corner-sharing OMg2FeCo2 square pyramids.
MgFeCoO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Both Mg(1)-O(1) bond lengths are 2.18 Å. All Mg(1)-O(2) bond lengths are 2.15 Å. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Both Fe(1)-O(2) bond lengths are 1.99 Å. All Fe(1)-O(1) bond lengths are 2.05 Å. Co(1) 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)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Both Co(1)-O(1) bond lengths are 1.93 Å. All Co(1)-O(2) bond lengths are 2.15 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Co(1) atoms to form a mixture of edge and corner-sharing OMg2FeCo2 square pyramids.