Ti5O7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Ti(3) atoms. In the second O site, O(1) is bonded to two equivalent Ti(2) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OTi5 square pyramids. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(3) atoms. In the fourth O site, O(3) is bonded to one Ti(2), two equivalent Ti(1), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing OTi5 trigonal bipyramids.
Ti5O7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. The Ti(1)-O(2) bond length is 1.97 Å. Both Ti(1)-O(3) bond lengths are 2.10 Å. There are two shorter (2.12 Å) and one longer (2.13 Å) Ti(1)-O(1) bond length. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. Both Ti(2)-O(3) bond lengths are 2.22 Å. All Ti(2)-O(1) bond lengths are 2.10 Å. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Ti(3)-O(4) bond length is 1.81 Å. Both Ti(3)-O(2) bond lengths are 1.98 Å. Both Ti(3)-O(3) bond lengths are 2.09 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Ti(3) atoms. In the second O site, O(1) is bonded to two equivalent Ti(2) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OTi5 square pyramids. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(3) atoms. In the fourth O site, O(3) is bonded to one Ti(2), two equivalent Ti(1), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing OTi5 trigonal bipyramids.