MgV4MnNiO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(5), one O(6), and one O(9) 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 Mn(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-61°. 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 Mn(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 22-69°. 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 Mn(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. 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 Mn(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 22-68°. Mn(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 MnO6 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 Mn(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgMnVNi tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgMnVNi tetrahedra.
MgV4MnNiO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. The Mg(1)-O(12) bond length is 2.06 Å. The Mg(1)-O(2) bond length is 2.58 Å. The Mg(1)-O(3) bond length is 2.06 Å. The Mg(1)-O(5) bond length is 2.61 Å. The Mg(1)-O(6) bond length is 2.11 Å. The Mg(1)-O(9) bond length is 2.11 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 Mn(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-61°. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(2) bond length is 1.73 Å. The V(1)-O(4) bond length is 1.74 Å. The V(1)-O(6) bond length is 1.81 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 Mn(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 22-69°. The V(2)-O(3) bond length is 1.84 Å. The V(2)-O(4) bond length is 1.89 Å. The V(2)-O(6) bond length is 1.94 Å. The V(2)-O(8) bond length is 1.68 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 Mn(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. The V(3)-O(10) bond length is 1.73 Å. The V(3)-O(5) bond length is 1.73 Å. The V(3)-O(7) bond length is 1.74 Å. The V(3)-O(9) bond length is 1.81 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 Mn(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 22-68°. The V(4)-O(11) bond length is 1.68 Å. The V(4)-O(12) bond length is 1.84 Å. The V(4)-O(7) bond length is 1.89 Å. The V(4)-O(9) bond length is 1.95 Å. Mn(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 MnO6 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 Mn(1)-O(1) bond length is 2.11 Å. The Mn(1)-O(10) bond length is 2.11 Å. The Mn(1)-O(12) bond length is 2.17 Å. The Mn(1)-O(2) bond length is 2.07 Å. The Mn(1)-O(3) bond length is 2.17 Å. The Mn(1)-O(5) bond length is 2.07 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 Mn(1)O6 octahedra. The Ni(1)-O(1) bond length is 2.12 Å. The Ni(1)-O(10) bond length is 2.12 Å. The Ni(1)-O(11) bond length is 1.99 Å. The Ni(1)-O(12) bond length is 2.13 Å. The Ni(1)-O(3) bond length is 2.13 Å. The Ni(1)-O(8) bond length is 1.99 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgMnVNi tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMgMnVNi tetrahedra.