TiO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Ti site, Ti(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms.
TiO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Ti(1)-O(1) bond length is 1.91 Å. Both Ti(1)-O(4) bond lengths are 2.01 Å. There are two shorter (1.92 Å) and one longer (2.04 Å) Ti(1)-O(2) bond length. In the second Ti site, Ti(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Ti(2)-O(4) bond length is 1.92 Å. Both Ti(2)-O(1) bond lengths are 2.00 Å. There are two shorter (1.93 Å) and one longer (2.02 Å) Ti(2)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms.