U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Cu2F7 by Materials Project
Abstract
Li2Cu2F7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to eight F1- atoms to form distorted LiF8 hexagonal bipyramids that share edges with six equivalent LiF8 hexagonal bipyramids and edges with six equivalent CuF6 octahedra. There are two shorter (2.17 Å) and six longer (2.47 Å) Li–F bond lengths. Cu+2.50+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent CuF6 octahedra and edges with six equivalent LiF8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Cu–F bond lengths are 1.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Cu+2.50+ atoms. In the second F1- site, F1- is bonded to four equivalent Li1+ atoms to form corner-sharing FLi4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-863404
- 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; Cu-F-Li; Li2Cu2F7; crystal structure
- OSTI Identifier:
- 1309843
- DOI:
- https://doi.org/10.17188/1309843
Citation Formats
Materials Data on Li2Cu2F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1309843.
Materials Data on Li2Cu2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1309843
2020.
"Materials Data on Li2Cu2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1309843. https://www.osti.gov/servlets/purl/1309843. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1309843,
title = {Materials Data on Li2Cu2F7 by Materials Project},
abstractNote = {Li2Cu2F7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to eight F1- atoms to form distorted LiF8 hexagonal bipyramids that share edges with six equivalent LiF8 hexagonal bipyramids and edges with six equivalent CuF6 octahedra. There are two shorter (2.17 Å) and six longer (2.47 Å) Li–F bond lengths. Cu+2.50+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent CuF6 octahedra and edges with six equivalent LiF8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Cu–F bond lengths are 1.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Cu+2.50+ atoms. In the second F1- site, F1- is bonded to four equivalent Li1+ atoms to form corner-sharing FLi4 tetrahedra.},
doi = {10.17188/1309843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}