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Title: Materials Data on BaCaSn by Materials Project

Abstract

BaCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are one shorter (3.62 Å) and four longer (3.82 Å) Ba–Sn bond lengths. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.27–3.34 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.

Publication Date:
Other Number(s):
mp-11265
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; BaCaSn; Ba-Ca-Sn
OSTI Identifier:
1187687
DOI:
10.17188/1187687

Citation Formats

The Materials Project. Materials Data on BaCaSn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187687.
The Materials Project. Materials Data on BaCaSn by Materials Project. United States. doi:10.17188/1187687.
The Materials Project. 2020. "Materials Data on BaCaSn by Materials Project". United States. doi:10.17188/1187687. https://www.osti.gov/servlets/purl/1187687. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187687,
title = {Materials Data on BaCaSn by Materials Project},
author = {The Materials Project},
abstractNote = {BaCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are one shorter (3.62 Å) and four longer (3.82 Å) Ba–Sn bond lengths. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.27–3.34 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.},
doi = {10.17188/1187687},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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