MgV4MnO12 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(12), one O(2), one O(6), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-48°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-57°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-58°. Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are twelve 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(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom.
MgV4MnO12 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(12), one O(2), one O(6), and one O(9) atom. The Mg(1)-O(1) bond length is 2.28 Å. The Mg(1)-O(10) bond length is 2.02 Å. The Mg(1)-O(12) bond length is 2.02 Å. The Mg(1)-O(2) bond length is 2.01 Å. The Mg(1)-O(6) bond length is 2.28 Å. The Mg(1)-O(9) bond length is 2.23 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. The V(1)-O(10) bond length is 2.20 Å. The V(1)-O(11) bond length is 2.00 Å. The V(1)-O(2) bond length is 1.94 Å. The V(1)-O(3) bond length is 1.71 Å. The V(1)-O(5) bond length is 1.67 Å. The V(1)-O(8) bond length is 2.33 Å. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-48°. The V(2)-O(1) bond length is 1.99 Å. The V(2)-O(12) bond length is 1.86 Å. The V(2)-O(4) bond length is 2.00 Å. The V(2)-O(6) bond length is 1.70 Å. The V(2)-O(7) bond length is 2.25 Å. The V(2)-O(9) bond length is 1.80 Å. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-57°. The V(3)-O(1) bond length is 2.12 Å. The V(3)-O(11) bond length is 1.91 Å. The V(3)-O(12) bond length is 1.91 Å. The V(3)-O(2) bond length is 1.90 Å. The V(3)-O(4) bond length is 1.91 Å. The V(3)-O(9) bond length is 2.09 Å. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-58°. The V(4)-O(10) bond length is 1.77 Å. The V(4)-O(3) bond length is 2.06 Å. The V(4)-O(5) bond length is 2.15 Å. The V(4)-O(6) bond length is 2.11 Å. The V(4)-O(7) bond length is 1.77 Å. The V(4)-O(8) bond length is 1.74 Å. Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(11) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.93 Å. The Mn(1)-O(7) bond length is 1.99 Å. The Mn(1)-O(8) bond length is 2.10 Å. The Mn(1)-O(9) bond length is 2.30 Å. There are twelve 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(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom.