MgV2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(12), one O(13), one O(16), and one O(4) atom to form MgO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent Mg(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Mg site, Mg(2) is bonded to one O(11), one O(14), one O(15), and one O(3) atom to form MgO4 tetrahedra that share  a cornercorner with one Mg(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(8)O6 octahedra, and corners with three equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the third Mg site, Mg(3) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(8)O6 octahedra, and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the fifth V site, V(5) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent Mg(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the sixth V site, V(6) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the seventh V site, V(7) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(2)O4 tetrahedra, corners with three equivalent V(5)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. In the eighth V site, V(8) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one V(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one V(7) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one V(6), one V(7), and one V(8) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded to one Mg(3), one V(2), one V(4), and one V(6) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(4), one V(1), one V(5), and one V(7) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(3), one V(5), one V(6), and one V(8) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(4), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the ninth O site, O(9) is bonded to one Mg(3), one V(2), one V(4), and one V(8) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Mg(4), one V(3), one V(5), and one V(7) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mg(3), one V(7), and one V(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(4), one V(2), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(3), one V(6), and one V(8) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(4), one V(1), and one V(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mg(3), one V(6), and one V(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(4), one V(1), and one V(2) atom.
MgV2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(12), one O(13), one O(16), and one O(4) atom to form MgO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent Mg(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. The Mg(1)-O(12) bond length is 1.99 Å. The Mg(1)-O(13) bond length is 1.98 Å. The Mg(1)-O(16) bond length is 1.99 Å. The Mg(1)-O(4) bond length is 2.01 Å. In the second Mg site, Mg(2) is bonded to one O(11), one O(14), one O(15), and one O(3) atom to form MgO4 tetrahedra that share  a cornercorner with one Mg(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(8)O6 octahedra, and corners with three equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. The Mg(2)-O(11) bond length is 1.99 Å. The Mg(2)-O(14) bond length is 1.99 Å. The Mg(2)-O(15) bond length is 2.00 Å. The Mg(2)-O(3) bond length is 2.01 Å. In the third Mg site, Mg(3) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The Mg(3)-O(11) bond length is 2.08 Å. The Mg(3)-O(13) bond length is 2.08 Å. The Mg(3)-O(15) bond length is 2.09 Å. The Mg(3)-O(5) bond length is 2.12 Å. The Mg(3)-O(7) bond length is 2.12 Å. The Mg(3)-O(9) bond length is 2.12 Å. In the fourth Mg site, Mg(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The Mg(4)-O(10) bond length is 2.12 Å. The Mg(4)-O(12) bond length is 2.09 Å. The Mg(4)-O(14) bond length is 2.08 Å. The Mg(4)-O(16) bond length is 2.09 Å. The Mg(4)-O(6) bond length is 2.12 Å. The Mg(4)-O(8) bond length is 2.11 Å. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The V(1)-O(14) bond length is 2.03 Å. The V(1)-O(16) bond length is 2.03 Å. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(4) bond length is 2.05 Å. The V(1)-O(6) bond length is 2.09 Å. The V(1)-O(8) bond length is 2.09 Å. In the second V site, V(2) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. The V(2)-O(1) bond length is 2.12 Å. The V(2)-O(12) bond length is 2.00 Å. The V(2)-O(16) bond length is 2.00 Å. The V(2)-O(4) bond length is 2.09 Å. The V(2)-O(5) bond length is 2.08 Å. The V(2)-O(9) bond length is 2.07 Å. In the third V site, V(3) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The V(3)-O(10) bond length is 2.09 Å. The V(3)-O(12) bond length is 2.03 Å. The V(3)-O(14) bond length is 2.03 Å. The V(3)-O(2) bond length is 2.09 Å. The V(3)-O(4) bond length is 2.05 Å. The V(3)-O(8) bond length is 2.09 Å. In the fourth V site, V(4) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(8)O6 octahedra, and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. The V(4)-O(1) bond length is 1.97 Å. The V(4)-O(5) bond length is 1.96 Å. The V(4)-O(8) bond length is 1.95 Å. The V(4)-O(9) bond length is 1.96 Å. In the fifth V site, V(5) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent Mg(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. The V(5)-O(10) bond length is 1.95 Å. The V(5)-O(2) bond length is 1.98 Å. The V(5)-O(6) bond length is 1.95 Å. The V(5)-O(7) bond length is 1.95 Å. In the sixth V site, V(6) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The V(6)-O(1) bond length is 2.11 Å. The V(6)-O(13) bond length is 2.02 Å. The V(6)-O(15) bond length is 2.02 Å. The V(6)-O(3) bond length is 2.06 Å. The V(6)-O(5) bond length is 2.07 Å. The V(6)-O(7) bond length is 2.09 Å. In the seventh V site, V(7) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(2)O4 tetrahedra, corners with three equivalent V(5)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. The V(7)-O(10) bond length is 2.08 Å. The V(7)-O(11) bond length is 2.00 Å. The V(7)-O(15) bond length is 2.01 Å. The V(7)-O(2) bond length is 2.13 Å. The V(7)-O(3) bond length is 2.09 Å. The V(7)-O(6) bond length is 2.07 Å. In the eighth V site, V(8) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The V(8)-O(1) bond length is 2.09 Å. The V(8)-O(11) bond length is 2.04 Å. The V(8)-O(13) bond length is 2.03 Å. The V(8)-O(3) bond length is 2.04 Å. The V(8)-O(7) bond length is 2.09 Å. The V(8)-O(9) bond length is 2.09 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one V(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one V(7) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one V(6), one V(7), and one V(8) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded to one Mg(3), one V(2), one V(4), and one V(6) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(4), one V(1), one V(5), and one V(7) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(3), one V(5), one V(6), and one V(8) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(4), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the ninth O site, O(9) is bonded to one Mg(3), one V(2), one V(4), and one V(8) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Mg(4), one V(3), one V(5), and one V(7) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mg(3), one V(7), and one V(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(4), one V(2), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(3), one V(6), and one V(8) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(4), one V(1), and one V(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mg(3), one V(6), and one V(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(4), one V(1), and one V(2) atom.