Materials Data on Ti5Se4 by Materials Project
Ti5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a square co-planar geometry to four equivalent Se atoms. All Ti–Se bond lengths are 2.71 Å. In the second Ti site, Ti is bonded to five equivalent Se atoms to form a mixture of distorted edge and corner-sharing TiSe5 square pyramids. There are a spread of Ti–Se bond distances ranging from 2.60–2.63 Å. Se is bonded in a 6-coordinate geometry to six Ti atoms.
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