U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCoO2 by Materials Project
Abstract
NaCoO2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with twelve equivalent CoO6 octahedra, edges with six equivalent NaO6 octahedra, and faces with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Na–O bond lengths are 2.41 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with twelve equivalent NaO6 octahedra, edges with six equivalent CoO6 octahedra, and faces with two equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Co–O bond lengths are 2.05 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Co3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1101661
- 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; Co-Na-O; crystal structure; NaCoO2
- OSTI Identifier:
- 1716867
- DOI:
- https://doi.org/10.17188/1716867
Citation Formats
Materials Data on NaCoO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716867.
Materials Data on NaCoO2 by Materials Project. United States. doi:https://doi.org/10.17188/1716867
2020.
"Materials Data on NaCoO2 by Materials Project". United States. doi:https://doi.org/10.17188/1716867. https://www.osti.gov/servlets/purl/1716867. Pub date:Sun May 03 20:00:00 EDT 2020
@article{osti_1716867,
title = {Materials Data on NaCoO2 by Materials Project},
abstractNote = {NaCoO2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with twelve equivalent CoO6 octahedra, edges with six equivalent NaO6 octahedra, and faces with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Na–O bond lengths are 2.41 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with twelve equivalent NaO6 octahedra, edges with six equivalent CoO6 octahedra, and faces with two equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Co–O bond lengths are 2.05 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Co3+ atoms.},
doi = {10.17188/1716867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}