U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1213521
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-Fe-N; FeN2F5; crystal structure
- OSTI Identifier:
- 1719786
- DOI:
- https://doi.org/10.17188/1719786
Citation Formats
Materials Data on FeN2F5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719786.
Materials Data on FeN2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1719786
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},
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}
}