TiOSO4 crystallizes in the orthorhombic Pnma 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 TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ti(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ti(1) and one S(1) atom.
TiOSO4 crystallizes in the orthorhombic Pnma 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 TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. The Ti(1)-O(1) bond length is 1.99 Å. The Ti(1)-O(3) bond length is 1.97 Å. Both Ti(1)-O(2) bond lengths are 1.79 Å. Both Ti(1)-O(4) bond lengths are 2.10 Å. S(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. The S(1)-O(1) bond length is 1.47 Å. The S(1)-O(3) bond length is 1.47 Å. Both S(1)-O(4) bond lengths are 1.45 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ti(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ti(1) and one S(1) atom.