MgV3FeO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), and one O(6) 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 Fe(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 Fe(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 Fe(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. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted FeO4 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 trigonal planar geometry to one Mg(1), one V(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one Fe(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 distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), 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 Fe(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Fe(1) atom.
MgV3FeO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), and one O(6) 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 Fe(1)O4 tetrahedra. The Mg(1)-O(1) bond length is 2.00 Å. The Mg(1)-O(3) bond length is 2.02 Å. The Mg(1)-O(5) bond length is 2.01 Å. The Mg(1)-O(6) bond length is 1.99 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 Fe(1)O4 tetrahedra. The V(1)-O(1) bond length is 1.77 Å. The V(1)-O(3) bond length is 1.82 Å. The V(1)-O(7) bond length is 1.74 Å. The V(1)-O(8) bond length is 1.68 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 Fe(1)O4 tetrahedra. The V(2)-O(2) bond length is 1.73 Å. The V(2)-O(4) bond length is 1.83 Å. The V(2)-O(5) bond length is 1.93 Å. The V(2)-O(6) bond length is 1.87 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 2.01 Å. The V(3)-O(4) bond length is 1.84 Å. The V(3)-O(5) bond length is 1.93 Å. The V(3)-O(7) bond length is 1.91 Å. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted FeO4 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 Fe(1)-O(1) bond length is 2.10 Å. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(6) bond length is 1.98 Å. The Fe(1)-O(8) bond length is 2.04 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one Fe(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 distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), 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 Fe(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Fe(1) atom.