U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCoF3 by Materials Project
Abstract
NaCoF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.62 Å. Co2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.04 Å) and four longer (2.09 Å) Co–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Co2+ atoms to form distorted corner-sharing FNa2Co2 tetrahedra. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Co2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1078336
- 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-F-Na; NaCoF3; crystal structure
- OSTI Identifier:
- 1705877
- DOI:
- https://doi.org/10.17188/1705877
Citation Formats
Materials Data on NaCoF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705877.
Materials Data on NaCoF3 by Materials Project. United States. doi:https://doi.org/10.17188/1705877
2020.
"Materials Data on NaCoF3 by Materials Project". United States. doi:https://doi.org/10.17188/1705877. https://www.osti.gov/servlets/purl/1705877. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1705877,
title = {Materials Data on NaCoF3 by Materials Project},
abstractNote = {NaCoF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.62 Å. Co2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.04 Å) and four longer (2.09 Å) Co–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Co2+ atoms to form distorted corner-sharing FNa2Co2 tetrahedra. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Co2+ atoms.},
doi = {10.17188/1705877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}