MgV3MnO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom.
MgV3MnO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The Mg(1)-O(3) bond length is 2.02 Å. The Mg(1)-O(4) bond length is 2.07 Å. The Mg(1)-O(6) bond length is 2.01 Å. The Mg(1)-O(8) bond length is 1.98 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(3) bond length is 1.92 Å. The V(1)-O(7) bond length is 1.83 Å. The V(1)-O(8) bond length is 1.84 Å. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The V(2)-O(2) bond length is 1.69 Å. The V(2)-O(4) bond length is 1.84 Å. The V(2)-O(5) bond length is 1.72 Å. The V(2)-O(6) bond length is 1.77 Å. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. The V(3)-O(3) bond length is 1.96 Å. The V(3)-O(4) bond length is 2.01 Å. The V(3)-O(5) bond length is 1.96 Å. The V(3)-O(7) bond length is 1.85 Å. Mn(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(2) bond length is 2.03 Å. The Mn(1)-O(6) bond length is 2.11 Å. The Mn(1)-O(8) bond length is 2.03 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom.