U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaLi2CoF6 by Materials Project
Abstract
NaLi2CoF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CoF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.14 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent CoF6 octahedra. All Li–F bond lengths are 2.82 Å. Co3+ is bonded to six equivalent F1- atoms to form CoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–F bond lengths are 1.85 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Co3+ atom.
- Publication Date:
- Other Number(s):
- mp-1111550
- 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-Li-Na; NaLi2CoF6; crystal structure
- OSTI Identifier:
- 1732947
- DOI:
- https://doi.org/10.17188/1732947
Citation Formats
Materials Data on NaLi2CoF6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1732947.
Materials Data on NaLi2CoF6 by Materials Project. United States. doi:https://doi.org/10.17188/1732947
2018.
"Materials Data on NaLi2CoF6 by Materials Project". United States. doi:https://doi.org/10.17188/1732947. https://www.osti.gov/servlets/purl/1732947. Pub date:Wed Aug 15 04:00:00 UTC 2018
@article{osti_1732947,
title = {Materials Data on NaLi2CoF6 by Materials Project},
abstractNote = {NaLi2CoF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CoF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.14 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent CoF6 octahedra. All Li–F bond lengths are 2.82 Å. Co3+ is bonded to six equivalent F1- atoms to form CoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–F bond lengths are 1.85 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Co3+ atom.},
doi = {10.17188/1732947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}