U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaFeO2 by Materials Project
Abstract
NaFeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–O bond lengths are 2.39 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Fe–O bond lengths are 2.08 Å. O2- is bonded to three equivalent Na1+ and three equivalent Fe3+ atoms to form a mixture of edge and corner-sharing ONa3Fe3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19359
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NaFeO2; Fe-Na-O
- OSTI Identifier:
- 1194365
- DOI:
- https://doi.org/10.17188/1194365
Citation Formats
The Materials Project. Materials Data on NaFeO2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1194365.
The Materials Project. Materials Data on NaFeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1194365
The Materials Project. 2017.
"Materials Data on NaFeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1194365. https://www.osti.gov/servlets/purl/1194365. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1194365,
title = {Materials Data on NaFeO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaFeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–O bond lengths are 2.39 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Fe–O bond lengths are 2.08 Å. O2- is bonded to three equivalent Na1+ and three equivalent Fe3+ atoms to form a mixture of edge and corner-sharing ONa3Fe3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1194365},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 18 00:00:00 EDT 2017},
month = {Tue Jul 18 00:00:00 EDT 2017}
}