Materials Data on Cs2TaS6 by Materials Project
Cs2TaS6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to twelve equivalent S1- atoms. There are a spread of Cs–S bond distances ranging from 3.55–4.05 Å. Ta4+ is bonded in an octahedral geometry to six equivalent S1- atoms. All Ta–S bond lengths are 2.41 Å. S1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.
- 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:
- 1207156
- Report Number(s):
- mp-36254
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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