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Title: Materials Data on Ba3(AlSn)2 by Materials Project

Abstract

Ba3(AlSn)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight equivalent Al and four equivalent Sn atoms to form a mixture of face and edge-sharing BaAl8Sn4 cuboctahedra. All Ba–Al bond lengths are 3.74 Å. All Ba–Sn bond lengths are 3.87 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Sn atoms. Both Ba–Al bond lengths are 3.64 Å. There are four shorter (3.64 Å) and one longer (3.80 Å) Ba–Sn bond lengths. Al is bonded in a 2-coordinate geometry to six Ba, one Al, and two equivalent Sn atoms. The Al–Al bond length is 2.56 Å. Both Al–Sn bond lengths are 2.79 Å. Sn is bonded in a 2-coordinate geometry to seven Ba and two equivalent Al atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7377
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; Ba3(AlSn)2; Al-Ba-Sn
OSTI Identifier:
1287874
DOI:
10.17188/1287874

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba3(AlSn)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287874.
Persson, Kristin, & Project, Materials. Materials Data on Ba3(AlSn)2 by Materials Project. United States. doi:10.17188/1287874.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba3(AlSn)2 by Materials Project". United States. doi:10.17188/1287874. https://www.osti.gov/servlets/purl/1287874. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287874,
title = {Materials Data on Ba3(AlSn)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba3(AlSn)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight equivalent Al and four equivalent Sn atoms to form a mixture of face and edge-sharing BaAl8Sn4 cuboctahedra. All Ba–Al bond lengths are 3.74 Å. All Ba–Sn bond lengths are 3.87 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Sn atoms. Both Ba–Al bond lengths are 3.64 Å. There are four shorter (3.64 Å) and one longer (3.80 Å) Ba–Sn bond lengths. Al is bonded in a 2-coordinate geometry to six Ba, one Al, and two equivalent Sn atoms. The Al–Al bond length is 2.56 Å. Both Al–Sn bond lengths are 2.79 Å. Sn is bonded in a 2-coordinate geometry to seven Ba and two equivalent Al atoms.},
doi = {10.17188/1287874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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