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Title: Materials Data on BaSn3Pd by Materials Project

Abstract

BaPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Sn atoms. There are four shorter (3.90 Å) and one longer (3.99 Å) Ba–Pd bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.65–3.78 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.69 Å) and four longer (2.74 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Sn atoms.

Publication Date:
Other Number(s):
mp-11269
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; BaSn3Pd; Ba-Pd-Sn
OSTI Identifier:
1187690
DOI:
10.17188/1187690

Citation Formats

The Materials Project. Materials Data on BaSn3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187690.
The Materials Project. Materials Data on BaSn3Pd by Materials Project. United States. doi:10.17188/1187690.
The Materials Project. 2020. "Materials Data on BaSn3Pd by Materials Project". United States. doi:10.17188/1187690. https://www.osti.gov/servlets/purl/1187690. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187690,
title = {Materials Data on BaSn3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {BaPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Sn atoms. There are four shorter (3.90 Å) and one longer (3.99 Å) Ba–Pd bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.65–3.78 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.69 Å) and four longer (2.74 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Sn atoms.},
doi = {10.17188/1187690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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