U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni2O3 by Materials Project
Abstract
Ni2O3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.80–1.90 Å. In the second Ni3+ site, Ni3+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.82–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ni3+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ni3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ni3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1220143
- 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; Ni-O; Ni2O3; crystal structure
- OSTI Identifier:
- 1689415
- DOI:
- https://doi.org/10.17188/1689415
Citation Formats
Materials Data on Ni2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689415.
Materials Data on Ni2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1689415
2020.
"Materials Data on Ni2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1689415. https://www.osti.gov/servlets/purl/1689415. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689415,
title = {Materials Data on Ni2O3 by Materials Project},
abstractNote = {Ni2O3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.80–1.90 Å. In the second Ni3+ site, Ni3+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.82–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ni3+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ni3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ni3+ atoms.},
doi = {10.17188/1689415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}