Materials Data on BiS by Materials Project
BiS crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two BiS ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–3.30 Å. In the second Bi2+ site, Bi2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.74–3.04 Å. In the third Bi2+ site, Bi2+ is bonded in a distorted single-bond geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–2.87 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Bi2+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to five Bi2+ atoms. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Bi2+ 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:
- 1202754
- Report Number(s):
- mp-28677
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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