Ti5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. In the second Ti site, Ti(2) is bonded to five equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing TiSe5 square pyramids. Se(1) is bonded in a 6-coordinate geometry to one Ti(1) and five equivalent Ti(2) atoms.
Ti5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. All Ti(1)-Se(1) bond lengths are 2.69 Å. In the second Ti site, Ti(2) is bonded to five equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing TiSe5 square pyramids. There are a spread of Ti(2)-Se(1) bond distances ranging from 2.59-2.62 Å. Se(1) is bonded in a 6-coordinate geometry to one Ti(1) and five equivalent Ti(2) atoms.