U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Cu3F8 by Materials Project
Abstract
Li2Cu3F8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.94–2.58 Å. There are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six F1- atoms to form edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.90–2.35 Å. In the second Cu2+ site, Cu2+ is bonded to six F1- atoms to form edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.91–2.28 Å. In the third Cu2+ site, Cu2+ is bonded to six F1- atoms to form edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.91–2.29 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two Cu2+ atoms. In the second F1- site, F1- is bonded to two equivalent Li1+ and two Cu2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Cu2 tetrahedra. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Cu2+ atoms. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-753387
- 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; Li2Cu3F8; Cu-F-Li
- OSTI Identifier:
- 1289012
- DOI:
- https://doi.org/10.17188/1289012
Citation Formats
The Materials Project. Materials Data on Li2Cu3F8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289012.
The Materials Project. Materials Data on Li2Cu3F8 by Materials Project. United States. doi:https://doi.org/10.17188/1289012
The Materials Project. 2020.
"Materials Data on Li2Cu3F8 by Materials Project". United States. doi:https://doi.org/10.17188/1289012. https://www.osti.gov/servlets/purl/1289012. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289012,
title = {Materials Data on Li2Cu3F8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Cu3F8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.94–2.58 Å. There are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six F1- atoms to form edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.90–2.35 Å. In the second Cu2+ site, Cu2+ is bonded to six F1- atoms to form edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.91–2.28 Å. In the third Cu2+ site, Cu2+ is bonded to six F1- atoms to form edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.91–2.29 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two Cu2+ atoms. In the second F1- site, F1- is bonded to two equivalent Li1+ and two Cu2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Cu2 tetrahedra. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Cu2+ atoms. In the fourth F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two Cu2+ atoms.},
doi = {10.17188/1289012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}