MgV2CoO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-52°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent V(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-51°. There are six 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 V(1), one V(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom.
MgV2CoO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-52°. The Mg(1)-O(1) bond length is 2.09 Å. The Mg(1)-O(2) bond length is 2.11 Å. The Mg(1)-O(3) bond length is 2.11 Å. The Mg(1)-O(4) bond length is 1.94 Å. The Mg(1)-O(5) bond length is 2.02 Å. The Mg(1)-O(6) bond length is 2.02 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. The V(1)-O(1) bond length is 2.00 Å. The V(1)-O(2) bond length is 1.95 Å. The V(1)-O(3) bond length is 1.97 Å. The V(1)-O(4) bond length is 2.16 Å. The V(1)-O(5) bond length is 1.86 Å. The V(1)-O(6) bond length is 2.26 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent V(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. The V(2)-O(1) bond length is 1.96 Å. The V(2)-O(2) bond length is 2.01 Å. The V(2)-O(3) bond length is 2.02 Å. The V(2)-O(4) bond length is 2.09 Å. The V(2)-O(5) bond length is 2.26 Å. The V(2)-O(6) bond length is 1.85 Å. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-51°. The Co(1)-O(1) bond length is 2.16 Å. The Co(1)-O(2) bond length is 2.16 Å. The Co(1)-O(3) bond length is 2.12 Å. The Co(1)-O(4) bond length is 1.90 Å. The Co(1)-O(5) bond length is 2.01 Å. The Co(1)-O(6) bond length is 2.04 Å. There are six 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 V(1), one V(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom.