MgV2O4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second V site, V(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids.
MgV2O4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Mg(1)-O(1) bond lengths are 2.27 Å. There is one shorter (2.48 Å) and one longer (2.63 Å) Mg(1)-O(2) bond length. Both Mg(1)-O(3) bond lengths are 2.22 Å. Both Mg(1)-O(4) bond lengths are 2.31 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. The V(1)-O(4) bond length is 2.07 Å. Both V(1)-O(2) bond lengths are 1.97 Å. There is one shorter (2.09 Å) and two longer (2.10 Å) V(1)-O(3) bond lengths. In the second V site, V(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. The V(2)-O(2) bond length is 1.96 Å. Both V(2)-O(4) bond lengths are 2.10 Å. There is one shorter (2.03 Å) and two longer (2.10 Å) V(2)-O(1) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids.