U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3B by Materials Project
Abstract
Na3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent B3- atoms to form a mixture of edge, face, and corner-sharing NaNa4B4 tetrahedra. All Na–Na bond lengths are 3.04 Å. All Na–B bond lengths are 3.04 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. B3- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1186020
- 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; B-Na; Na3B; crystal structure
- OSTI Identifier:
- 1740290
- DOI:
- https://doi.org/10.17188/1740290
Citation Formats
Materials Data on Na3B by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740290.
Materials Data on Na3B by Materials Project. United States. doi:https://doi.org/10.17188/1740290
2020.
"Materials Data on Na3B by Materials Project". United States. doi:https://doi.org/10.17188/1740290. https://www.osti.gov/servlets/purl/1740290. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1740290,
title = {Materials Data on Na3B by Materials Project},
abstractNote = {Na3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent B3- atoms to form a mixture of edge, face, and corner-sharing NaNa4B4 tetrahedra. All Na–Na bond lengths are 3.04 Å. All Na–B bond lengths are 3.04 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. B3- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.},
doi = {10.17188/1740290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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