U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni3H by Materials Project
Abstract
Ni3H is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Ni and four equivalent H atoms. All Ni–Ni bond lengths are 2.31 Å. All Ni–H bond lengths are 2.31 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. H is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-973895
- 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; H-Ni; Ni3H; crystal structure
- OSTI Identifier:
- 1314312
- DOI:
- https://doi.org/10.17188/1314312
Citation Formats
Materials Data on Ni3H by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314312.
Materials Data on Ni3H by Materials Project. United States. doi:https://doi.org/10.17188/1314312
2020.
"Materials Data on Ni3H by Materials Project". United States. doi:https://doi.org/10.17188/1314312. https://www.osti.gov/servlets/purl/1314312. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1314312,
title = {Materials Data on Ni3H by Materials Project},
abstractNote = {Ni3H is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Ni and four equivalent H atoms. All Ni–Ni bond lengths are 2.31 Å. All Ni–H bond lengths are 2.31 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. H is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.},
doi = {10.17188/1314312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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