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Title: 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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-753148
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; Li2Cu7F16; Cu-F-Li
OSTI Identifier:
1288911
DOI:
https://doi.org/10.17188/1288911

Citation Formats

The Materials Project. Materials Data on Li2Cu7F16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288911.
The Materials Project. Materials Data on Li2Cu7F16 by Materials Project. United States. doi:https://doi.org/10.17188/1288911
The Materials Project. 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},
author = {The 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}
}