U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaSb2 by Materials Project
Abstract
BaSb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ba–Sb bond distances ranging from 3.70–3.84 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to five equivalent Ba2+ and three Sb1- atoms. There are one shorter (2.99 Å) and two longer (3.04 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to five equivalent Ba2+ and three Sb1- atoms. The Sb–Sb bond length is 2.99 Å.
- Publication Date:
- Other Number(s):
- mp-1182123
- 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; Ba-Sb; BaSb2; crystal structure
- OSTI Identifier:
- 1680740
- DOI:
- https://doi.org/10.17188/1680740
Citation Formats
Materials Data on BaSb2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680740.
Materials Data on BaSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1680740
2020.
"Materials Data on BaSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1680740. https://www.osti.gov/servlets/purl/1680740. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1680740,
title = {Materials Data on BaSb2 by Materials Project},
abstractNote = {BaSb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ba–Sb bond distances ranging from 3.70–3.84 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to five equivalent Ba2+ and three Sb1- atoms. There are one shorter (2.99 Å) and two longer (3.04 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to five equivalent Ba2+ and three Sb1- atoms. The Sb–Sb bond length is 2.99 Å.},
doi = {10.17188/1680740},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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