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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1188354
- Report Number(s):
- mp-11765
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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