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Title: Materials Data on FeN2F5 by Materials Project

Abstract

(Fe2NF8)2N2(NF)4 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of four ammonia molecules; eight monofluoroamine molecules; and two Fe2NF8 sheets oriented in the (0, 0, 1) direction. In each Fe2NF8 sheet, Fe3+ is bonded to five F1- atoms to form corner-sharing FeF5 trigonal bipyramids. There are a spread of Fe–F bond distances ranging from 1.80–2.10 Å. N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Fe3+ and one N1+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Fe3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Fe3+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213521
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; FeN2F5; F-Fe-N
OSTI Identifier:
1719786
DOI:
https://doi.org/10.17188/1719786

Citation Formats

The Materials Project. Materials Data on FeN2F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719786.
The Materials Project. Materials Data on FeN2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1719786
The Materials Project. 2020. "Materials Data on FeN2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1719786. https://www.osti.gov/servlets/purl/1719786. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1719786,
title = {Materials Data on FeN2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {(Fe2NF8)2N2(NF)4 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of four ammonia molecules; eight monofluoroamine molecules; and two Fe2NF8 sheets oriented in the (0, 0, 1) direction. In each Fe2NF8 sheet, Fe3+ is bonded to five F1- atoms to form corner-sharing FeF5 trigonal bipyramids. There are a spread of Fe–F bond distances ranging from 1.80–2.10 Å. N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Fe3+ and one N1+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Fe3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Fe3+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1719786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}