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Title: Materials Data on Ba5Sn3 by Materials Project

Abstract

Ba5Sn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to five Sn atoms to form a mixture of distorted face, edge, and corner-sharing BaSn5 trigonal bipyramids. There are a spread of Ba–Sn bond distances ranging from 3.63–3.81 Å. In the second Ba site, Ba is bonded in a square co-planar geometry to four equivalent Sn atoms. All Ba–Sn bond lengths are 3.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight equivalent Ba atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Ba and one Sn atom. The Sn–Sn bond length is 2.95 Å.

Authors:
Publication Date:
Other Number(s):
mp-17325
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba5Sn3; Ba-Sn
OSTI Identifier:
1192451
DOI:
https://doi.org/10.17188/1192451

Citation Formats

The Materials Project. Materials Data on Ba5Sn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192451.
The Materials Project. Materials Data on Ba5Sn3 by Materials Project. United States. doi:https://doi.org/10.17188/1192451
The Materials Project. 2020. "Materials Data on Ba5Sn3 by Materials Project". United States. doi:https://doi.org/10.17188/1192451. https://www.osti.gov/servlets/purl/1192451. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192451,
title = {Materials Data on Ba5Sn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba5Sn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to five Sn atoms to form a mixture of distorted face, edge, and corner-sharing BaSn5 trigonal bipyramids. There are a spread of Ba–Sn bond distances ranging from 3.63–3.81 Å. In the second Ba site, Ba is bonded in a square co-planar geometry to four equivalent Sn atoms. All Ba–Sn bond lengths are 3.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight equivalent Ba atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Ba and one Sn atom. The Sn–Sn bond length is 2.95 Å.},
doi = {10.17188/1192451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}