U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiHO2 by Materials Project
Abstract
NiOOH crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one NiOOH sheet oriented in the (0, 0, 1) direction. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is three shorter (1.98 Å) and three longer (2.00 Å) Ni–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni3+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-999337
- 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-O; NiHO2; crystal structure
- OSTI Identifier:
- 1317549
- DOI:
- https://doi.org/10.17188/1317549
Citation Formats
Materials Data on NiHO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317549.
Materials Data on NiHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317549
2020.
"Materials Data on NiHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317549. https://www.osti.gov/servlets/purl/1317549. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1317549,
title = {Materials Data on NiHO2 by Materials Project},
abstractNote = {NiOOH crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one NiOOH sheet oriented in the (0, 0, 1) direction. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is three shorter (1.98 Å) and three longer (2.00 Å) Ni–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni3+ and one H1+ atom.},
doi = {10.17188/1317549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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