U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3Ni by Materials Project
Abstract
Na3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ni atoms. All Na–Na bond lengths are 3.15 Å. All Na–Ni bond lengths are 3.64 Å. In the second Na site, Na is bonded to four equivalent Na and four equivalent Ni atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Ni4 tetrahedra. All Na–Ni bond lengths are 3.15 Å. Ni is bonded in a body-centered cubic geometry to fourteen Na atoms.
- Publication Date:
- Other Number(s):
- mp-1186073
- 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; Na-Ni; Na3Ni; crystal structure
- OSTI Identifier:
- 1651515
- DOI:
- https://doi.org/10.17188/1651515
Citation Formats
Materials Data on Na3Ni by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651515.
Materials Data on Na3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1651515
2020.
"Materials Data on Na3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1651515. https://www.osti.gov/servlets/purl/1651515. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1651515,
title = {Materials Data on Na3Ni by Materials Project},
abstractNote = {Na3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ni atoms. All Na–Na bond lengths are 3.15 Å. All Na–Ni bond lengths are 3.64 Å. In the second Na site, Na is bonded to four equivalent Na and four equivalent Ni atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Ni4 tetrahedra. All Na–Ni bond lengths are 3.15 Å. Ni is bonded in a body-centered cubic geometry to fourteen Na atoms.},
doi = {10.17188/1651515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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