Materials Data on FeH4Br3N by Materials Project
Abstract
FeBr3NH4 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two ammonium molecules and one FeBr3 ribbon oriented in the (0, 1, 0) direction. In the FeBr3 ribbon, Fe2+ is bonded to six Br1- atoms to form face-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.61–2.65 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-865922
- 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; FeH4Br3N; Br-Fe-H-N
- OSTI Identifier:
- 1311100
- DOI:
- https://doi.org/10.17188/1311100
Citation Formats
The Materials Project. Materials Data on FeH4Br3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311100.
The Materials Project. Materials Data on FeH4Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1311100
The Materials Project. 2020.
"Materials Data on FeH4Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1311100. https://www.osti.gov/servlets/purl/1311100. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1311100,
title = {Materials Data on FeH4Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {FeBr3NH4 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two ammonium molecules and one FeBr3 ribbon oriented in the (0, 1, 0) direction. In the FeBr3 ribbon, Fe2+ is bonded to six Br1- atoms to form face-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.61–2.65 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms.},
doi = {10.17188/1311100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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