U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3As by Materials Project
Abstract
Na3As 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 As3- atoms to form a mixture of edge, corner, and face-sharing NaNa4As4 tetrahedra. All Na–Na bond lengths are 3.11 Å. All Na–As bond lengths are 3.11 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to eight equivalent Na1+ and six equivalent As3- atoms. All Na–As bond lengths are 3.59 Å. As3- is bonded in a body-centered cubic geometry to fourteen Na1+ atoms.
- Publication Date:
- Other Number(s):
- mp-8860
- 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; As-Na; Na3As; crystal structure
- OSTI Identifier:
- 1312772
- DOI:
- https://doi.org/10.17188/1312772
Citation Formats
Materials Data on Na3As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312772.
Materials Data on Na3As by Materials Project. United States. doi:https://doi.org/10.17188/1312772
2020.
"Materials Data on Na3As by Materials Project". United States. doi:https://doi.org/10.17188/1312772. https://www.osti.gov/servlets/purl/1312772. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1312772,
title = {Materials Data on Na3As by Materials Project},
abstractNote = {Na3As 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 As3- atoms to form a mixture of edge, corner, and face-sharing NaNa4As4 tetrahedra. All Na–Na bond lengths are 3.11 Å. All Na–As bond lengths are 3.11 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to eight equivalent Na1+ and six equivalent As3- atoms. All Na–As bond lengths are 3.59 Å. As3- is bonded in a body-centered cubic geometry to fourteen Na1+ atoms.},
doi = {10.17188/1312772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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