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Title: Materials Data on Th6CoBr15 by Materials Project

Abstract

Th6CoBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6CoBr15 frameworks. Th is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ThCoBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Co bond length is 2.79 Å. There are four shorter (2.93 Å) and one longer (3.09 Å) Th–Br bond lengths. Co 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 an L-shaped geometry to two equivalent Th atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent Th atoms.

Authors:
Publication Date:
Other Number(s):
mp-28167
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; Th6CoBr15; Br-Co-Th
OSTI Identifier:
1202293
DOI:
https://doi.org/10.17188/1202293

Citation Formats

The Materials Project. Materials Data on Th6CoBr15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202293.
The Materials Project. Materials Data on Th6CoBr15 by Materials Project. United States. doi:https://doi.org/10.17188/1202293
The Materials Project. 2020. "Materials Data on Th6CoBr15 by Materials Project". United States. doi:https://doi.org/10.17188/1202293. https://www.osti.gov/servlets/purl/1202293. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202293,
title = {Materials Data on Th6CoBr15 by Materials Project},
author = {The Materials Project},
abstractNote = {Th6CoBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6CoBr15 frameworks. Th is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ThCoBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Co bond length is 2.79 Å. There are four shorter (2.93 Å) and one longer (3.09 Å) Th–Br bond lengths. Co 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 an L-shaped geometry to two equivalent Th atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent Th atoms.},
doi = {10.17188/1202293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}