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Title: Materials Data on Li2CuF4 by Materials Project

Abstract

Li2CuF4 is Ilmenite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form edge-sharing LiF6 octahedra. There are two shorter (2.00 Å) and four longer (2.07 Å) Li–F bond lengths. Cu2+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.95 Å. F1- is bonded to three equivalent Li1+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing FLi3Cu trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-757235
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; Li2CuF4; Cu-F-Li
OSTI Identifier:
1290750
DOI:
https://doi.org/10.17188/1290750

Citation Formats

The Materials Project. Materials Data on Li2CuF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290750.
The Materials Project. Materials Data on Li2CuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1290750
The Materials Project. 2020. "Materials Data on Li2CuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1290750. https://www.osti.gov/servlets/purl/1290750. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290750,
title = {Materials Data on Li2CuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CuF4 is Ilmenite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form edge-sharing LiF6 octahedra. There are two shorter (2.00 Å) and four longer (2.07 Å) Li–F bond lengths. Cu2+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.95 Å. F1- is bonded to three equivalent Li1+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing FLi3Cu trigonal pyramids.},
doi = {10.17188/1290750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}