TiO crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing TiO6 pentagonal pyramids. In the second Ti site, Ti(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded to one Ti(2) and four equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OTi5 trigonal bipyramids.
TiO crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing TiO6 pentagonal pyramids. All Ti(1)-O(1) bond lengths are 2.10 Å. In the second Ti site, Ti(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All Ti(2)-O(1) bond lengths are 1.97 Å. O(1) is bonded to one Ti(2) and four equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OTi5 trigonal bipyramids.