U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiH3 by Materials Project
Abstract
NiH3 is Chromium trichloride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four NiH3 ribbons oriented in the (0, 0, 1) direction. Ni1+ is bonded in a 6-coordinate geometry to six H+0.33- atoms. All Ni–H bond lengths are 1.62 Å. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms. In the second H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms.
- Publication Date:
- Other Number(s):
- mp-973963
- 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; NiH3; crystal structure
- OSTI Identifier:
- 1314374
- DOI:
- https://doi.org/10.17188/1314374
Citation Formats
Materials Data on NiH3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314374.
Materials Data on NiH3 by Materials Project. United States. doi:https://doi.org/10.17188/1314374
2020.
"Materials Data on NiH3 by Materials Project". United States. doi:https://doi.org/10.17188/1314374. https://www.osti.gov/servlets/purl/1314374. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1314374,
title = {Materials Data on NiH3 by Materials Project},
abstractNote = {NiH3 is Chromium trichloride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four NiH3 ribbons oriented in the (0, 0, 1) direction. Ni1+ is bonded in a 6-coordinate geometry to six H+0.33- atoms. All Ni–H bond lengths are 1.62 Å. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms. In the second H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms.},
doi = {10.17188/1314374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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