Materials Data on Cs(TeMo)3 by Materials Project
Cs(MoTe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 3-coordinate geometry to nine Te atoms. There are a spread of Cs–Te bond distances ranging from 3.78–4.38 Å. There are three 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 two shorter (2.67 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.67 Å) and two longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms. In the third Te site, Te is bonded in a 7-coordinate geometry to three equivalent Cs and four Mo atoms.
- 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:
- 1694916
- Report Number(s):
- mp-1104612
- Country of Publication:
- United States
- Language:
- English
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