U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeH4N2F5 by Materials Project
Abstract
FeF5NNH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonium molecules and one FeF5N framework. In the FeF5N framework, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Fe–F bond distances ranging from 1.83–2.01 Å. N1- is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of N–F bond distances ranging from 2.60–3.14 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Fe3+ and one N1- atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe3+ and one N1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Fe3+ and one N1- atom.
- Publication Date:
- Other Number(s):
- mp-1212951
- 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-H-N; FeH4N2F5; crystal structure
- OSTI Identifier:
- 1700792
- DOI:
- https://doi.org/10.17188/1700792
Citation Formats
Materials Data on FeH4N2F5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700792.
Materials Data on FeH4N2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1700792
2019.
"Materials Data on FeH4N2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1700792. https://www.osti.gov/servlets/purl/1700792. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1700792,
title = {Materials Data on FeH4N2F5 by Materials Project},
abstractNote = {FeF5NNH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonium molecules and one FeF5N framework. In the FeF5N framework, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Fe–F bond distances ranging from 1.83–2.01 Å. N1- is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of N–F bond distances ranging from 2.60–3.14 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Fe3+ and one N1- atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe3+ and one N1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Fe3+ and one N1- atom.},
doi = {10.17188/1700792},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}