DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiFeF3 by Materials Project

Abstract

LiFeF3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All Li–F bond lengths are 2.34 Å. Fe2+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are two shorter (1.95 Å) and four longer (2.12 Å) Fe–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Fe2 tetrahedra. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe2+ atoms.

Publication Date:
Other Number(s):
mp-1097043
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; LiFeF3; F-Fe-Li
OSTI Identifier:
1727449
DOI:
https://doi.org/10.17188/1727449

Citation Formats

The Materials Project. Materials Data on LiFeF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727449.
The Materials Project. Materials Data on LiFeF3 by Materials Project. United States. doi:https://doi.org/10.17188/1727449
The Materials Project. 2020. "Materials Data on LiFeF3 by Materials Project". United States. doi:https://doi.org/10.17188/1727449. https://www.osti.gov/servlets/purl/1727449. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727449,
title = {Materials Data on LiFeF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeF3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All Li–F bond lengths are 2.34 Å. Fe2+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are two shorter (1.95 Å) and four longer (2.12 Å) Fe–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Fe2 tetrahedra. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe2+ atoms.},
doi = {10.17188/1727449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}