MgTiVO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. V(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OMg2Ti2V square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OMg2Ti2V square pyramids.
MgTiVO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Mg(1)-O(1) bond length is 2.27 Å. The Mg(1)-O(3) bond length is 2.22 Å. Both Mg(1)-O(2) bond lengths are 2.09 Å. Both Mg(1)-O(4) bond lengths are 2.09 Å. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. The Ti(1)-O(1) bond length is 1.97 Å. The Ti(1)-O(3) bond length is 1.98 Å. Both Ti(1)-O(2) bond lengths are 2.09 Å. Both Ti(1)-O(4) bond lengths are 2.09 Å. V(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. The V(1)-O(2) bond length is 2.06 Å. The V(1)-O(4) bond length is 2.05 Å. Both V(1)-O(1) bond lengths are 2.09 Å. Both V(1)-O(3) bond lengths are 2.09 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OMg2Ti2V square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OMg2Ti2V square pyramids.