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Title: Materials Data on FeF3 by Materials Project

Abstract

FeF3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. There is three shorter (1.96 Å) and three longer (1.97 Å) Fe–F bond length. In the second Fe3+ site, Fe3+ is bonded to six equivalent F1- atoms to form distorted corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Fe–F bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1181398
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; FeF3; F-Fe
OSTI Identifier:
1708029
DOI:
https://doi.org/10.17188/1708029

Citation Formats

The Materials Project. Materials Data on FeF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708029.
The Materials Project. Materials Data on FeF3 by Materials Project. United States. doi:https://doi.org/10.17188/1708029
The Materials Project. 2020. "Materials Data on FeF3 by Materials Project". United States. doi:https://doi.org/10.17188/1708029. https://www.osti.gov/servlets/purl/1708029. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1708029,
title = {Materials Data on FeF3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeF3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. There is three shorter (1.96 Å) and three longer (1.97 Å) Fe–F bond length. In the second Fe3+ site, Fe3+ is bonded to six equivalent F1- atoms to form distorted corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Fe–F bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1708029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}