U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li6VF8 by Materials Project
Abstract
Li6VF8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra, edges with two equivalent VF6 octahedra, and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Li–F bond lengths are 2.10 Å. V2+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share edges with twelve equivalent LiF6 octahedra. All V–F bond lengths are 2.07 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Li1+ and one V2+ atom to form FLi4V square pyramids that share corners with nine equivalent FLi4V square pyramids, edges with four equivalent FLi6 octahedra, and edges with four equivalent FLi4V square pyramids. In the second F1- site, F1- is bonded to six equivalent Li1+ atoms to form FLi6 octahedra that share corners with six equivalent FLi6 octahedra and edges with twelve equivalent FLi4V square pyramids. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-765804
- 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; F-Li-V; Li6VF8; crystal structure
- OSTI Identifier:
- 1296306
- DOI:
- https://doi.org/10.17188/1296306
Citation Formats
Materials Data on Li6VF8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1296306.
Materials Data on Li6VF8 by Materials Project. United States. doi:https://doi.org/10.17188/1296306
2020.
"Materials Data on Li6VF8 by Materials Project". United States. doi:https://doi.org/10.17188/1296306. https://www.osti.gov/servlets/purl/1296306. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1296306,
title = {Materials Data on Li6VF8 by Materials Project},
abstractNote = {Li6VF8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra, edges with two equivalent VF6 octahedra, and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Li–F bond lengths are 2.10 Å. V2+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share edges with twelve equivalent LiF6 octahedra. All V–F bond lengths are 2.07 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Li1+ and one V2+ atom to form FLi4V square pyramids that share corners with nine equivalent FLi4V square pyramids, edges with four equivalent FLi6 octahedra, and edges with four equivalent FLi4V square pyramids. In the second F1- site, F1- is bonded to six equivalent Li1+ atoms to form FLi6 octahedra that share corners with six equivalent FLi6 octahedra and edges with twelve equivalent FLi4V square pyramids. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1296306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}