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Title: Materials Data on Fe3OF7 by Materials Project

Abstract

Fe3OF7 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Fe3OF7 sheets oriented in the (0, 0, 1) direction. Fe3+ is bonded to one O2- and five F1- atoms to form edge-sharing FeOF5 octahedra. The Fe–O bond length is 1.96 Å. There are a spread of Fe–F bond distances ranging from 1.97–2.14 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third F1- site, F1- is bonded in an L-shaped geometry to two equivalent Fe3+ atoms.

Publication Date:
Other Number(s):
mp-774191
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; Fe3OF7; F-Fe-O
OSTI Identifier:
1302410
DOI:
10.17188/1302410

Citation Formats

The Materials Project. Materials Data on Fe3OF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302410.
The Materials Project. Materials Data on Fe3OF7 by Materials Project. United States. doi:10.17188/1302410.
The Materials Project. 2020. "Materials Data on Fe3OF7 by Materials Project". United States. doi:10.17188/1302410. https://www.osti.gov/servlets/purl/1302410. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1302410,
title = {Materials Data on Fe3OF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3OF7 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Fe3OF7 sheets oriented in the (0, 0, 1) direction. Fe3+ is bonded to one O2- and five F1- atoms to form edge-sharing FeOF5 octahedra. The Fe–O bond length is 1.96 Å. There are a spread of Fe–F bond distances ranging from 1.97–2.14 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third F1- site, F1- is bonded in an L-shaped geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1302410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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