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Title: Materials Data on Li2CuF4 by Materials Project

Abstract

Li2CuF4 crystallizes in the monoclinic P2_1/c 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 1.95–2.68 Å. Cu2+ is bonded to six F1- atoms to form distorted edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.91–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Li1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded to three equivalent Li1+ and one Cu2+ atom to form corner-sharing FLi3Cu tetrahedra.

Publication Date:
Other Number(s):
mp-758320
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2CuF4; Cu-F-Li
OSTI Identifier:
1291057
DOI:
10.17188/1291057

Citation Formats

The Materials Project. Materials Data on Li2CuF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291057.
The Materials Project. Materials Data on Li2CuF4 by Materials Project. United States. doi:10.17188/1291057.
The Materials Project. 2020. "Materials Data on Li2CuF4 by Materials Project". United States. doi:10.17188/1291057. https://www.osti.gov/servlets/purl/1291057. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1291057,
title = {Materials Data on Li2CuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CuF4 crystallizes in the monoclinic P2_1/c 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 1.95–2.68 Å. Cu2+ is bonded to six F1- atoms to form distorted edge-sharing CuF6 octahedra. There are a spread of Cu–F bond distances ranging from 1.91–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Li1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded to three equivalent Li1+ and one Cu2+ atom to form corner-sharing FLi3Cu tetrahedra.},
doi = {10.17188/1291057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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