Materials Data on BaS2 by Materials Project
BaS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent S1- atoms to form a mixture of corner and edge-sharing BaS8 hexagonal bipyramids. There are a spread of Ba–S bond distances ranging from 3.18–3.29 Å. S1- is bonded in a 5-coordinate geometry to four equivalent Ba2+ and one S1- atom. The S–S bond length is 2.12 Å.
- 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:
- 1283842
- Report Number(s):
- mp-684
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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