Materials Data on B2S3 by Materials Project
B2S3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one B2S3 sheet oriented in the (1, 0, 2) direction. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is two shorter (1.81 Å) and one longer (1.84 Å) B–S bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.80–1.83 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.80–1.83 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.81–1.84 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two B3+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two B3+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two B3+ atoms. In the sixth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent 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:
- 1276422
- Report Number(s):
- mp-572670
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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