U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiOF by Materials Project
Abstract
NiOF crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ni3+ is bonded to four equivalent O2- and two equivalent F1- atoms to form a mixture of corner and edge-sharing NiO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.04 Å. Both Ni–F bond lengths are 1.93 Å. O2- is bonded in a square co-planar geometry to four equivalent Ni3+ atoms. F1- is bonded in a linear geometry to two equivalent Ni3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1147690
- 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; F-Ni-O; NiOF; crystal structure
- OSTI Identifier:
- 1699211
- DOI:
- https://doi.org/10.17188/1699211
Citation Formats
Materials Data on NiOF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699211.
Materials Data on NiOF by Materials Project. United States. doi:https://doi.org/10.17188/1699211
2020.
"Materials Data on NiOF by Materials Project". United States. doi:https://doi.org/10.17188/1699211. https://www.osti.gov/servlets/purl/1699211. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699211,
title = {Materials Data on NiOF by Materials Project},
abstractNote = {NiOF crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ni3+ is bonded to four equivalent O2- and two equivalent F1- atoms to form a mixture of corner and edge-sharing NiO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.04 Å. Both Ni–F bond lengths are 1.93 Å. O2- is bonded in a square co-planar geometry to four equivalent Ni3+ atoms. F1- is bonded in a linear geometry to two equivalent Ni3+ atoms.},
doi = {10.17188/1699211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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