Materials Data on LiIn(TeMo)6 by Materials Project
LiIn(MoTe)6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent Te atoms. All Li–Te bond lengths are 3.02 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.78 Å. There are a spread of Mo–Te bond distances ranging from 2.84–2.88 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. Both Mo–Mo bond lengths are 2.68 Å. There are a spread of Mo–Te bond distances ranging from 2.81–2.90 Å. In is bonded in a trigonal planar geometry to three equivalent Te atoms. All In–Te bond lengths are 3.13 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a distorted single-bond geometry to one Li and four Mo atoms. In the second Te site, Te is bonded in a 1-coordinate geometry to four Mo and one In atom.
- 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:
- 1720053
- Report Number(s):
- mp-1223004
- Country of Publication:
- United States
- Language:
- English
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