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Title: Materials Data on ReW2Br by Materials Project

Abstract

W2ReBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded to four equivalent W, four equivalent Re, and six equivalent Br atoms to form distorted WRe4W4Br6 tetrahedra that share corners with eighteen WRe4W4Br6 tetrahedra and faces with sixteen WW4Br4 tetrahedra. All W–W bond lengths are 2.78 Å. All W–Re bond lengths are 2.78 Å. All W–Br bond lengths are 3.21 Å. In the second W site, W is bonded to four equivalent W and four equivalent Br atoms to form distorted WW4Br4 tetrahedra that share corners with twelve equivalent WRe4W4Br6 tetrahedra, edges with twelve equivalent WW4Br4 tetrahedra, and faces with four equivalent WRe4W4Br6 tetrahedra. All W–Br bond lengths are 2.78 Å. Re is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent Br atoms. All Re–Br bond lengths are 2.78 Å. Br is bonded in a distorted body-centered cubic geometry to ten W and four equivalent Re atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631424
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; ReW2Br; Br-Re-W
OSTI Identifier:
1279142
DOI:
10.17188/1279142

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ReW2Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279142.
Persson, Kristin, & Project, Materials. Materials Data on ReW2Br by Materials Project. United States. doi:10.17188/1279142.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ReW2Br by Materials Project". United States. doi:10.17188/1279142. https://www.osti.gov/servlets/purl/1279142. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279142,
title = {Materials Data on ReW2Br by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {W2ReBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded to four equivalent W, four equivalent Re, and six equivalent Br atoms to form distorted WRe4W4Br6 tetrahedra that share corners with eighteen WRe4W4Br6 tetrahedra and faces with sixteen WW4Br4 tetrahedra. All W–W bond lengths are 2.78 Å. All W–Re bond lengths are 2.78 Å. All W–Br bond lengths are 3.21 Å. In the second W site, W is bonded to four equivalent W and four equivalent Br atoms to form distorted WW4Br4 tetrahedra that share corners with twelve equivalent WRe4W4Br6 tetrahedra, edges with twelve equivalent WW4Br4 tetrahedra, and faces with four equivalent WRe4W4Br6 tetrahedra. All W–Br bond lengths are 2.78 Å. Re is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent Br atoms. All Re–Br bond lengths are 2.78 Å. Br is bonded in a distorted body-centered cubic geometry to ten W and four equivalent Re atoms.},
doi = {10.17188/1279142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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