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Title: Materials Data on LaRe2W by Materials Project

Abstract

LaWRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to four equivalent W and ten Re atoms. All La–W bond lengths are 2.86 Å. There are four shorter (2.86 Å) and six longer (3.30 Å) La–Re bond lengths. W is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Re atoms. All W–Re bond lengths are 2.86 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent La, four equivalent W, and four equivalent Re atoms to form a mixture of distorted face and corner-sharing ReLa6Re4W4 tetrahedra. All Re–Re bond lengths are 2.86 Å. In the second Re site, Re is bonded to four equivalent La and four equivalent Re atoms to form distorted ReLa4Re4 tetrahedra that share corners with twelve equivalent ReLa6Re4W4 tetrahedra, edges with twelve equivalent ReLa4Re4 tetrahedra, and faces with four equivalent ReLa6Re4W4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631343
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; LaRe2W; La-Re-W
OSTI Identifier:
1279084
DOI:
10.17188/1279084

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaRe2W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279084.
Persson, Kristin, & Project, Materials. Materials Data on LaRe2W by Materials Project. United States. doi:10.17188/1279084.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaRe2W by Materials Project". United States. doi:10.17188/1279084. https://www.osti.gov/servlets/purl/1279084. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279084,
title = {Materials Data on LaRe2W by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaWRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to four equivalent W and ten Re atoms. All La–W bond lengths are 2.86 Å. There are four shorter (2.86 Å) and six longer (3.30 Å) La–Re bond lengths. W is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Re atoms. All W–Re bond lengths are 2.86 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent La, four equivalent W, and four equivalent Re atoms to form a mixture of distorted face and corner-sharing ReLa6Re4W4 tetrahedra. All Re–Re bond lengths are 2.86 Å. In the second Re site, Re is bonded to four equivalent La and four equivalent Re atoms to form distorted ReLa4Re4 tetrahedra that share corners with twelve equivalent ReLa6Re4W4 tetrahedra, edges with twelve equivalent ReLa4Re4 tetrahedra, and faces with four equivalent ReLa6Re4W4 tetrahedra.},
doi = {10.17188/1279084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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