MgV2In2O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one In(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one In(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), and two equivalent In(1) atoms to form distorted edge-sharing OMgVIn2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent In(1) atoms.
MgV2In2O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. Both Mg(1)-O(2) bond lengths are 1.99 Å. Both Mg(1)-O(3) bond lengths are 2.05 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. Both V(1)-O(2) bond lengths are 1.85 Å. Both V(1)-O(4) bond lengths are 1.82 Å. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. Both V(2)-O(1) bond lengths are 1.72 Å. Both V(2)-O(3) bond lengths are 1.98 Å. In(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. The In(1)-O(1) bond length is 2.14 Å. The In(1)-O(2) bond length is 2.18 Å. Both In(1)-O(3) bond lengths are 2.28 Å. Both In(1)-O(4) bond lengths are 2.20 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one In(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one In(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), and two equivalent In(1) atoms to form distorted edge-sharing OMgVIn2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent In(1) atoms.