VTiO4 crystallizes in the orthorhombic Imm2 space group. 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 and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. V(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one V(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent Ti(1) and one V(1) atom.
VTiO4 crystallizes in the orthorhombic Imm2 space group. 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 and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. The Ti(1)-O(1) bond length is 2.14 Å. The Ti(1)-O(3) bond length is 1.94 Å. Both Ti(1)-O(2) bond lengths are 1.91 Å. Both Ti(1)-O(4) bond lengths are 1.98 Å. V(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. The V(1)-O(2) bond length is 2.07 Å. The V(1)-O(4) bond length is 1.92 Å. Both V(1)-O(1) bond lengths are 1.90 Å. Both V(1)-O(3) bond lengths are 1.98 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one V(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent Ti(1) and one V(1) atom.