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Title: Materials Data on TlFeBr4 by Materials Project

Abstract

FeTlBr4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Fe3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Fe–Br bond lengths. Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.44–3.62 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Fe3+ and two equivalent Tl1+ atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Fe3+ and two equivalent Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-29423
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; TlFeBr4; Br-Fe-Tl
OSTI Identifier:
1203824
DOI:
https://doi.org/10.17188/1203824

Citation Formats

The Materials Project. Materials Data on TlFeBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203824.
The Materials Project. Materials Data on TlFeBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1203824
The Materials Project. 2020. "Materials Data on TlFeBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1203824. https://www.osti.gov/servlets/purl/1203824. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1203824,
title = {Materials Data on TlFeBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {FeTlBr4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Fe3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Fe–Br bond lengths. Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.44–3.62 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Fe3+ and two equivalent Tl1+ atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Fe3+ and two equivalent Tl1+ atoms.},
doi = {10.17188/1203824},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}