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Title: Materials Data on BaRe2Sn by Materials Project

Abstract

BaRe2Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to ten Re and four equivalent Sn atoms. There are four shorter (3.04 Å) and six longer (3.52 Å) Ba–Re bond lengths. All Ba–Sn bond lengths are 3.04 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 4-coordinate geometry to six equivalent Ba, four equivalent Re, and four equivalent Sn atoms. All Re–Re bond lengths are 3.04 Å. All Re–Sn bond lengths are 3.04 Å. In the second Re site, Re is bonded to four equivalent Ba and four equivalent Re atoms to form distorted edge-sharing ReBa4Re4 tetrahedra. Sn is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Re atoms.

Publication Date:
Other Number(s):
mp-631703
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; BaRe2Sn; Ba-Re-Sn
OSTI Identifier:
1279285
DOI:
10.17188/1279285

Citation Formats

The Materials Project. Materials Data on BaRe2Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279285.
The Materials Project. Materials Data on BaRe2Sn by Materials Project. United States. doi:10.17188/1279285.
The Materials Project. 2020. "Materials Data on BaRe2Sn by Materials Project". United States. doi:10.17188/1279285. https://www.osti.gov/servlets/purl/1279285. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279285,
title = {Materials Data on BaRe2Sn by Materials Project},
author = {The Materials Project},
abstractNote = {BaRe2Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to ten Re and four equivalent Sn atoms. There are four shorter (3.04 Å) and six longer (3.52 Å) Ba–Re bond lengths. All Ba–Sn bond lengths are 3.04 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 4-coordinate geometry to six equivalent Ba, four equivalent Re, and four equivalent Sn atoms. All Re–Re bond lengths are 3.04 Å. All Re–Sn bond lengths are 3.04 Å. In the second Re site, Re is bonded to four equivalent Ba and four equivalent Re atoms to form distorted edge-sharing ReBa4Re4 tetrahedra. Sn is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Re atoms.},
doi = {10.17188/1279285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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