U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba by Materials Project
Abstract
Ba crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 5-coordinate geometry to five Ba atoms. There are a spread of Ba–Ba bond distances ranging from 3.43–4.24 Å. In the second Ba site, Ba is bonded to five Ba atoms to form distorted corner-sharing BaBa5 trigonal bipyramids. Both Ba–Ba bond lengths are 3.30 Å.
- Publication Date:
- Other Number(s):
- mp-1096835
- 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; crystal structure
- OSTI Identifier:
- 1733077
- DOI:
- https://doi.org/10.17188/1733077
Citation Formats
Materials Data on Ba by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1733077.
Materials Data on Ba by Materials Project. United States. doi:https://doi.org/10.17188/1733077
2018.
"Materials Data on Ba by Materials Project". United States. doi:https://doi.org/10.17188/1733077. https://www.osti.gov/servlets/purl/1733077. Pub date:Thu May 10 04:00:00 UTC 2018
@article{osti_1733077,
title = {Materials Data on Ba by Materials Project},
abstractNote = {Ba crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 5-coordinate geometry to five Ba atoms. There are a spread of Ba–Ba bond distances ranging from 3.43–4.24 Å. In the second Ba site, Ba is bonded to five Ba atoms to form distorted corner-sharing BaBa5 trigonal bipyramids. Both Ba–Ba bond lengths are 3.30 Å.},
doi = {10.17188/1733077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}
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