U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi2S3 by Materials Project
Abstract
Bi2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Bi–S bond distances ranging from 2.70–3.08 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.63–3.43 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Bi3+ atoms to form distorted edge-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Bi3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-22856
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-S; Bi2S3; crystal structure
- OSTI Identifier:
- 1199021
- DOI:
- https://doi.org/10.17188/1199021
Citation Formats
Materials Data on Bi2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199021.
Materials Data on Bi2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1199021
2020.
"Materials Data on Bi2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1199021. https://www.osti.gov/servlets/purl/1199021. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199021,
title = {Materials Data on Bi2S3 by Materials Project},
abstractNote = {Bi2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Bi–S bond distances ranging from 2.70–3.08 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.63–3.43 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Bi3+ atoms to form distorted edge-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Bi3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Bi3+ atoms.},
doi = {10.17188/1199021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}