MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. 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 VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. 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 MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped 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 distorted 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 distorted T-shaped geometry to one Mg(1), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted 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 distorted T-shaped 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 bent 150 degrees geometry to one V(2) and one V(3) atom.
MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. The Mg(1)-O(10) bond length is 2.13 Å. The Mg(1)-O(2) bond length is 2.11 Å. The Mg(1)-O(5) bond length is 2.08 Å. The Mg(1)-O(6) bond length is 2.02 Å. The Mg(1)-O(8) bond length is 2.14 Å. The Mg(1)-O(9) bond length is 2.06 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 2.29 Å. The V(1)-O(11) bond length is 1.88 Å. The V(1)-O(2) bond length is 1.97 Å. The V(1)-O(3) bond length is 1.67 Å. The V(1)-O(5) bond length is 1.75 Å. The V(1)-O(8) bond length is 2.23 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 VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. The V(2)-O(1) bond length is 1.87 Å. The V(2)-O(12) bond length is 2.12 Å. The V(2)-O(4) bond length is 2.05 Å. The V(2)-O(6) bond length is 1.79 Å. The V(2)-O(7) bond length is 1.96 Å. The V(2)-O(9) bond length is 2.03 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. The V(3)-O(1) bond length is 2.28 Å. The V(3)-O(11) bond length is 2.05 Å. The V(3)-O(12) bond length is 1.66 Å. The V(3)-O(2) bond length is 1.80 Å. The V(3)-O(4) bond length is 1.86 Å. The V(3)-O(9) bond length is 2.11 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. The V(4)-O(10) bond length is 1.71 Å. The V(4)-O(3) bond length is 2.12 Å. The V(4)-O(5) bond length is 2.09 Å. The V(4)-O(6) bond length is 2.05 Å. The V(4)-O(7) bond length is 1.95 Å. The V(4)-O(8) bond length is 1.98 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 MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Mn(1)-O(1) bond length is 1.90 Å. The Mn(1)-O(11) bond length is 1.91 Å. The Mn(1)-O(4) bond length is 1.97 Å. The Mn(1)-O(7) bond length is 1.97 Å. The Mn(1)-O(8) bond length is 1.96 Å. The Mn(1)-O(9) bond length is 1.96 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped 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 distorted 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 distorted T-shaped geometry to one Mg(1), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted 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 distorted T-shaped 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 bent 150 degrees geometry to one V(2) and one V(3) atom.