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Title: 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 = {2020},
month = {7}
}