Materials Data on TiSe by Materials Project
TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1185063
- Report Number(s):
- mp-10027
- Country of Publication:
- United States
- Language:
- English
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