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Title: Materials Data on FeOF by Materials Project

Abstract

FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Fe3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.94 Å) and one longer (1.95 Å) Fe–O bond length. There are one shorter (2.10 Å) and two longer (2.13 Å) Fe–F bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Fe3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1178215
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; FeOF; F-Fe-O
OSTI Identifier:
1758750
DOI:
https://doi.org/10.17188/1758750

Citation Formats

The Materials Project. Materials Data on FeOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758750.
The Materials Project. Materials Data on FeOF by Materials Project. United States. doi:https://doi.org/10.17188/1758750
The Materials Project. 2020. "Materials Data on FeOF by Materials Project". United States. doi:https://doi.org/10.17188/1758750. https://www.osti.gov/servlets/purl/1758750. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758750,
title = {Materials Data on FeOF by Materials Project},
author = {The Materials Project},
abstractNote = {FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Fe3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.94 Å) and one longer (1.95 Å) Fe–O bond length. There are one shorter (2.10 Å) and two longer (2.13 Å) Fe–F bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Fe3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.},
doi = {10.17188/1758750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}