MgCo2(VO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. V(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one Co(2) atom.
MgCo2(VO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Both Mg(1)-O(1) bond lengths are 2.27 Å. All Mg(1)-O(2) bond lengths are 2.13 Å. V(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. The V(1)-O(1) bond length is 1.70 Å. The V(1)-O(3) bond length is 1.70 Å. Both V(1)-O(2) bond lengths are 1.85 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Both Co(1)-O(1) bond lengths are 2.29 Å. All Co(1)-O(2) bond lengths are 2.08 Å. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Both Co(2)-O(3) bond lengths are 1.99 Å. All Co(2)-O(2) bond lengths are 2.24 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one Co(2) atom.