MgTiVO4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent V(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 4-13°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share 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 10-11°. 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 two equivalent Mg(1)O6 octahedra, 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 4-13°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2TiV2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one V(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2TiV2 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one V(1) atom.
MgTiVO4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent V(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 4-13°. The Mg(1)-O(2) bond length is 2.14 Å. The Mg(1)-O(4) bond length is 2.14 Å. There is one shorter (2.11 Å) and one longer (2.16 Å) Mg(1)-O(1) bond length. There is one shorter (2.11 Å) and one longer (2.15 Å) Mg(1)-O(3) bond length. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share 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 10-11°. The Ti(1)-O(1) bond length is 1.96 Å. The Ti(1)-O(3) bond length is 1.96 Å. There is one shorter (1.85 Å) and one longer (2.39 Å) Ti(1)-O(2) bond length. There is one shorter (1.85 Å) and one longer (2.41 Å) Ti(1)-O(4) bond length. 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 two equivalent Mg(1)O6 octahedra, 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 4-13°. The V(1)-O(2) bond length is 2.20 Å. The V(1)-O(4) bond length is 2.20 Å. There is one shorter (2.12 Å) and one longer (2.13 Å) V(1)-O(1) bond length. There is one shorter (2.13 Å) and one longer (2.14 Å) V(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2TiV2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one V(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2TiV2 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one V(1) atom.