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Title: Materials Data on LiCuF3 by Materials Project

Abstract

LiCuF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form distorted corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.89–2.03 Å. Cu2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Cu–F bond distances ranging from 1.89–2.22 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Cu2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-753405
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; LiCuF3; Cu-F-Li
OSTI Identifier:
1289018
DOI:
https://doi.org/10.17188/1289018

Citation Formats

The Materials Project. Materials Data on LiCuF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289018.
The Materials Project. Materials Data on LiCuF3 by Materials Project. United States. doi:https://doi.org/10.17188/1289018
The Materials Project. 2020. "Materials Data on LiCuF3 by Materials Project". United States. doi:https://doi.org/10.17188/1289018. https://www.osti.gov/servlets/purl/1289018. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1289018,
title = {Materials Data on LiCuF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form distorted corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.89–2.03 Å. Cu2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Cu–F bond distances ranging from 1.89–2.22 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1289018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}