U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Cu7F16 by Materials Project
Abstract
Li2Cu7F16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Li–F bond distances ranging from 1.96–2.70 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cu–F bond distances ranging from 1.91–2.54 Å. In the second Cu2+ site, Cu2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cu–F bond distances ranging from 1.92–2.59 Å. In the third Cu2+ site, Cu2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cu–F bond distances ranging from 1.92–2.58 Å. In the fourth Cu2+ site, Cu2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.95–2.14 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and three Cu2+ atoms to form distorted corner-sharing FLiCu3 tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to four Cu2+ atoms. In the thirdmore »
- Publication Date:
- Other Number(s):
- mp-753148
- 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; Li2Cu7F16; crystal structure
- OSTI Identifier:
- 1288911
- DOI:
- https://doi.org/10.17188/1288911
Citation Formats
Materials Data on Li2Cu7F16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288911.
Materials Data on Li2Cu7F16 by Materials Project. United States. doi:https://doi.org/10.17188/1288911
2020.
"Materials Data on Li2Cu7F16 by Materials Project". United States. doi:https://doi.org/10.17188/1288911. https://www.osti.gov/servlets/purl/1288911. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288911,
title = {Materials Data on Li2Cu7F16 by Materials Project},
abstractNote = {Li2Cu7F16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Li–F bond distances ranging from 1.96–2.70 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cu–F bond distances ranging from 1.91–2.54 Å. In the second Cu2+ site, Cu2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cu–F bond distances ranging from 1.92–2.59 Å. In the third Cu2+ site, Cu2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cu–F bond distances ranging from 1.92–2.58 Å. In the fourth Cu2+ site, Cu2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.95–2.14 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and three Cu2+ atoms to form distorted corner-sharing FLiCu3 tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to four Cu2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and two Cu2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two Cu2+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to four Cu2+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to four Cu2+ atoms. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and two Cu2+ atoms. In the eighth F1- site, F1- is bonded to one Li1+ and three Cu2+ atoms to form distorted corner-sharing FLiCu3 tetrahedra.},
doi = {10.17188/1288911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}