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Title: Materials Data on LiCuF2 by Materials Project

Abstract

LiCuF2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five F1- atoms to form a mixture of edge and corner-sharing LiF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.92–2.05 Å. Cu1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.85 Å) and one longer (1.88 Å) Cu–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Cu1+ atom. In the second F1- site, F1- is bonded in a rectangular see-saw-like geometry to three equivalent Li1+ and one Cu1+ atom.

Publication Date:
Other Number(s):
mp-752831
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; LiCuF2; Cu-F-Li
OSTI Identifier:
1288821
DOI:
https://doi.org/10.17188/1288821

Citation Formats

The Materials Project. Materials Data on LiCuF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288821.
The Materials Project. Materials Data on LiCuF2 by Materials Project. United States. doi:https://doi.org/10.17188/1288821
The Materials Project. 2020. "Materials Data on LiCuF2 by Materials Project". United States. doi:https://doi.org/10.17188/1288821. https://www.osti.gov/servlets/purl/1288821. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1288821,
title = {Materials Data on LiCuF2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuF2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five F1- atoms to form a mixture of edge and corner-sharing LiF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.92–2.05 Å. Cu1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.85 Å) and one longer (1.88 Å) Cu–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Cu1+ atom. In the second F1- site, F1- is bonded in a rectangular see-saw-like geometry to three equivalent Li1+ and one Cu1+ atom.},
doi = {10.17188/1288821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}