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Title: Materials Data on Li4CuF7 by Materials Project

Abstract

Li4CuF7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with three equivalent CuF6 octahedra and corners with six equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is one shorter (1.78 Å) and three longer (1.90 Å) Li–F bond length. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with twelve equivalent LiF4 tetrahedra. All Cu–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom. In the second F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.

Publication Date:
Other Number(s):
mp-759877
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; Li4CuF7; Cu-F-Li
OSTI Identifier:
1291522
DOI:
https://doi.org/10.17188/1291522

Citation Formats

The Materials Project. Materials Data on Li4CuF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291522.
The Materials Project. Materials Data on Li4CuF7 by Materials Project. United States. doi:https://doi.org/10.17188/1291522
The Materials Project. 2020. "Materials Data on Li4CuF7 by Materials Project". United States. doi:https://doi.org/10.17188/1291522. https://www.osti.gov/servlets/purl/1291522. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1291522,
title = {Materials Data on Li4CuF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4CuF7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with three equivalent CuF6 octahedra and corners with six equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is one shorter (1.78 Å) and three longer (1.90 Å) Li–F bond length. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with twelve equivalent LiF4 tetrahedra. All Cu–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom. In the second F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.},
doi = {10.17188/1291522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}