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Title: Materials Data on Li2FeF4 by Materials Project

Abstract

Li2FeF4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three F1- atoms. There is one shorter (1.82 Å) and two longer (1.84 Å) Li–F bond length. Fe2+ is bonded to six F1- atoms to form edge-sharing FeF6 octahedra. There are two shorter (2.05 Å) and four longer (2.14 Å) Fe–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Fe2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Fe2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1177954
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; Li2FeF4; F-Fe-Li
OSTI Identifier:
1711673
DOI:
https://doi.org/10.17188/1711673

Citation Formats

The Materials Project. Materials Data on Li2FeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711673.
The Materials Project. Materials Data on Li2FeF4 by Materials Project. United States. doi:https://doi.org/10.17188/1711673
The Materials Project. 2020. "Materials Data on Li2FeF4 by Materials Project". United States. doi:https://doi.org/10.17188/1711673. https://www.osti.gov/servlets/purl/1711673. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1711673,
title = {Materials Data on Li2FeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2FeF4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three F1- atoms. There is one shorter (1.82 Å) and two longer (1.84 Å) Li–F bond length. Fe2+ is bonded to six F1- atoms to form edge-sharing FeF6 octahedra. There are two shorter (2.05 Å) and four longer (2.14 Å) Fe–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Fe2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Fe2+ atom.},
doi = {10.17188/1711673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}