TiO crystallizes in the monoclinic C2/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. In the third Ti site, Ti(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to one Ti(1), one Ti(3), and three equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the third O site, O(3) is bonded to one Ti(2), one Ti(3), and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids.
TiO crystallizes in the monoclinic C2/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. The Ti(1)-O(1) bond length is 1.99 Å. The Ti(1)-O(2) bond length is 2.14 Å. There are two shorter (2.08 Å) and one longer (2.13 Å) Ti(1)-O(3) bond length. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing TiO5 square pyramids. The Ti(2)-O(1) bond length is 2.05 Å. The Ti(2)-O(3) bond length is 2.08 Å. There are two shorter (2.07 Å) and one longer (2.15 Å) Ti(2)-O(2) bond length. In the third Ti site, Ti(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Ti(3)-O(2) bond lengths are 2.13 Å. Both Ti(3)-O(3) bond lengths are 2.08 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to one Ti(1), one Ti(3), and three equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the third O site, O(3) is bonded to one Ti(2), one Ti(3), and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids.