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Title: Materials Data on BaCuSn2 by Materials Project

Abstract

BaCuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to four equivalent Cu and ten Sn atoms. All Ba–Cu bond lengths are 3.65 Å. There are a spread of Ba–Sn bond distances ranging from 3.61–3.84 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ba and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.66–2.80 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Ba, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.90 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ba and four equivalent Cu atoms.

Publication Date:
Other Number(s):
mp-5792
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; BaCuSn2; Ba-Cu-Sn
OSTI Identifier:
1276676
DOI:
10.17188/1276676

Citation Formats

The Materials Project. Materials Data on BaCuSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276676.
The Materials Project. Materials Data on BaCuSn2 by Materials Project. United States. doi:10.17188/1276676.
The Materials Project. 2020. "Materials Data on BaCuSn2 by Materials Project". United States. doi:10.17188/1276676. https://www.osti.gov/servlets/purl/1276676. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276676,
title = {Materials Data on BaCuSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to four equivalent Cu and ten Sn atoms. All Ba–Cu bond lengths are 3.65 Å. There are a spread of Ba–Sn bond distances ranging from 3.61–3.84 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ba and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.66–2.80 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Ba, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.90 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ba and four equivalent Cu atoms.},
doi = {10.17188/1276676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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