U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni2O5 by Materials Project
Abstract
Ni2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ni is bonded to six O atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Ni–O bond distances ranging from 1.84–2.13 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Ni atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ni atoms. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ni and one O atom. The O–O bond length is 1.31 Å.
- Publication Date:
- Other Number(s):
- mp-1094139
- 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; Ni2O5; crystal structure
- OSTI Identifier:
- 1689491
- DOI:
- https://doi.org/10.17188/1689491
Citation Formats
Materials Data on Ni2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689491.
Materials Data on Ni2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1689491
2020.
"Materials Data on Ni2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1689491. https://www.osti.gov/servlets/purl/1689491. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689491,
title = {Materials Data on Ni2O5 by Materials Project},
abstractNote = {Ni2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ni is bonded to six O atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Ni–O bond distances ranging from 1.84–2.13 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Ni atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ni atoms. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ni and one O atom. The O–O bond length is 1.31 Å.},
doi = {10.17188/1689491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}
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