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Title: Materials Data on Th6FeBr15 by Materials Project

Abstract

Th6FeBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6FeBr15 frameworks. Th is bonded to one Fe and five Br atoms to form a mixture of edge and corner-sharing ThFeBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Fe bond length is 2.77 Å. There are four shorter (2.94 Å) and one longer (3.05 Å) Th–Br bond lengths. Fe is bonded in an octahedral geometry to six equivalent Th atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two equivalent Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-649213
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Th6FeBr15; Br-Fe-Th
OSTI Identifier:
1280881
DOI:
10.17188/1280881

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Th6FeBr15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280881.
Persson, Kristin, & Project, Materials. Materials Data on Th6FeBr15 by Materials Project. United States. doi:10.17188/1280881.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Th6FeBr15 by Materials Project". United States. doi:10.17188/1280881. https://www.osti.gov/servlets/purl/1280881. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280881,
title = {Materials Data on Th6FeBr15 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Th6FeBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6FeBr15 frameworks. Th is bonded to one Fe and five Br atoms to form a mixture of edge and corner-sharing ThFeBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Fe bond length is 2.77 Å. There are four shorter (2.94 Å) and one longer (3.05 Å) Th–Br bond lengths. Fe is bonded in an octahedral geometry to six equivalent Th atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two equivalent Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms.},
doi = {10.17188/1280881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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