U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCdFeF6 by Materials Project
Abstract
LiFeCdF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent CdF6 octahedra and edges with three equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Li–F bond lengths are 2.05 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent CdF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Fe–F bond lengths are 1.96 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent FeF6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Cd–F bond lengths are 2.28 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Fe3+, and one Cd2+ atom.
- Publication Date:
- Other Number(s):
- mp-1211087
- 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; Cd-F-Fe-Li; LiCdFeF6; crystal structure
- OSTI Identifier:
- 1699738
- DOI:
- https://doi.org/10.17188/1699738
Citation Formats
Materials Data on LiCdFeF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699738.
Materials Data on LiCdFeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1699738
2019.
"Materials Data on LiCdFeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1699738. https://www.osti.gov/servlets/purl/1699738. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1699738,
title = {Materials Data on LiCdFeF6 by Materials Project},
abstractNote = {LiFeCdF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent CdF6 octahedra and edges with three equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Li–F bond lengths are 2.05 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent CdF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Fe–F bond lengths are 1.96 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent FeF6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Cd–F bond lengths are 2.28 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Fe3+, and one Cd2+ atom.},
doi = {10.17188/1699738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}