U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Cu2F5 by Materials Project
Abstract
Li2Cu2F5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form edge-sharing LiF6 octahedra. There are a spread of Li–F bond distances ranging from 1.99–2.27 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form edge-sharing LiF6 octahedra. There are a spread of Li–F bond distances ranging from 1.98–2.10 Å. There are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is two shorter (1.85 Å) and one longer (2.07 Å) Cu–F bond length. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Cu–F bond distances ranging from 1.85–1.98 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Li1+ and one Cu+1.50+ atom to form corner-sharing FLi3Cu trigonal pyramids. In the second F1- site, F1- is bonded in a rectangular see-saw-like geometry to three equivalent Li1+ and one Cu+1.50+ atom. In the third F1-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-752835
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2Cu2F5; Cu-F-Li
- OSTI Identifier:
- 1288823
- DOI:
- https://doi.org/10.17188/1288823
Citation Formats
The Materials Project. Materials Data on Li2Cu2F5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288823.
The Materials Project. Materials Data on Li2Cu2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1288823
The Materials Project. 2020.
"Materials Data on Li2Cu2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1288823. https://www.osti.gov/servlets/purl/1288823. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1288823,
title = {Materials Data on Li2Cu2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Cu2F5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form edge-sharing LiF6 octahedra. There are a spread of Li–F bond distances ranging from 1.99–2.27 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form edge-sharing LiF6 octahedra. There are a spread of Li–F bond distances ranging from 1.98–2.10 Å. There are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is two shorter (1.85 Å) and one longer (2.07 Å) Cu–F bond length. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Cu–F bond distances ranging from 1.85–1.98 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Li1+ and one Cu+1.50+ atom to form corner-sharing FLi3Cu trigonal pyramids. In the second F1- site, F1- is bonded in a rectangular see-saw-like geometry to three equivalent Li1+ and one Cu+1.50+ atom. In the third F1- site, F1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Cu+1.50+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Cu+1.50+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two Cu+1.50+ atoms.},
doi = {10.17188/1288823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}