MgV4CoNiO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-67°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-67°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Co(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgVCoNi tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Co(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Co(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded to one Mg(1), one V(3), one Co(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgVCoNi tetrahedra. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one V(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(4), one Co(1), and one Ni(1) atom.
MgV4CoNiO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), and one O(8) atom. The Mg(1)-O(1) bond length is 2.07 Å. The Mg(1)-O(10) bond length is 2.07 Å. The Mg(1)-O(11) bond length is 2.53 Å. The Mg(1)-O(4) bond length is 2.12 Å. The Mg(1)-O(7) bond length is 2.12 Å. The Mg(1)-O(8) bond length is 2.58 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-67°. The V(1)-O(1) bond length is 1.83 Å. The V(1)-O(2) bond length is 1.69 Å. The V(1)-O(4) bond length is 1.94 Å. The V(1)-O(6) bond length is 1.89 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. The V(2)-O(3) bond length is 1.72 Å. The V(2)-O(4) bond length is 1.81 Å. The V(2)-O(6) bond length is 1.74 Å. The V(2)-O(8) bond length is 1.72 Å. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-67°. The V(3)-O(10) bond length is 1.83 Å. The V(3)-O(5) bond length is 1.69 Å. The V(3)-O(7) bond length is 1.94 Å. The V(3)-O(9) bond length is 1.89 Å. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. The V(4)-O(11) bond length is 1.73 Å. The V(4)-O(12) bond length is 1.72 Å. The V(4)-O(7) bond length is 1.81 Å. The V(4)-O(9) bond length is 1.74 Å. Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The Co(1)-O(1) bond length is 2.15 Å. The Co(1)-O(10) bond length is 2.15 Å. The Co(1)-O(12) bond length is 2.16 Å. The Co(1)-O(2) bond length is 1.99 Å. The Co(1)-O(3) bond length is 2.16 Å. The Co(1)-O(5) bond length is 1.98 Å. Ni(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The Ni(1)-O(1) bond length is 2.14 Å. The Ni(1)-O(10) bond length is 2.14 Å. The Ni(1)-O(11) bond length is 2.07 Å. The Ni(1)-O(12) bond length is 2.10 Å. The Ni(1)-O(3) bond length is 2.10 Å. The Ni(1)-O(8) bond length is 2.06 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Co(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgVCoNi tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Co(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Co(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded to one Mg(1), one V(3), one Co(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgVCoNi tetrahedra. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one V(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(4), one Co(1), and one Ni(1) atom.