Materials Data on BS2 by Materials Project
BS2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two octaboron hexadecasulfide molecules. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. There are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the second S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the third S+1.50- site, S+1.50- is bonded in a water-like geometry to two B3+ atoms. In the fourth S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fifth S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the sixth S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the seventh S+1.50- site, S+1.50- is bonded in a water-like geometry to two B3+ atoms. In the eighth S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two B3+ atoms.
- 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:
- 1264660
- Report Number(s):
- mp-540668
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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