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Title: Materials Data on Th3Br by Materials Project

Abstract

Th3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing ThBr4 cuboctahedra. All Th–Br bond lengths are 3.51 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Br atoms. All Th–Br bond lengths are 3.47 Å. Br is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing BrTh12 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-979116
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; Th3Br; Br-Th
OSTI Identifier:
1316092
DOI:
https://doi.org/10.17188/1316092

Citation Formats

The Materials Project. Materials Data on Th3Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316092.
The Materials Project. Materials Data on Th3Br by Materials Project. United States. doi:https://doi.org/10.17188/1316092
The Materials Project. 2020. "Materials Data on Th3Br by Materials Project". United States. doi:https://doi.org/10.17188/1316092. https://www.osti.gov/servlets/purl/1316092. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316092,
title = {Materials Data on Th3Br by Materials Project},
author = {The Materials Project},
abstractNote = {Th3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing ThBr4 cuboctahedra. All Th–Br bond lengths are 3.51 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Br atoms. All Th–Br bond lengths are 3.47 Å. Br is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing BrTh12 cuboctahedra.},
doi = {10.17188/1316092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}