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Title: Materials Data on BaNiSn3 by Materials Project

Abstract

BaNiSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Ni and twelve Sn atoms. There are one shorter (3.77 Å) and four longer (3.87 Å) Ba–Ni bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.54–3.70 Å. Ni is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.57 Å) and four longer (2.63 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ba, two equivalent Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.13 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Ba, one Ni, and four equivalent Sn atoms.

Publication Date:
Other Number(s):
mp-11879
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; BaNiSn3; Ba-Ni-Sn
OSTI Identifier:
1188446
DOI:
https://doi.org/10.17188/1188446

Citation Formats

The Materials Project. Materials Data on BaNiSn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188446.
The Materials Project. Materials Data on BaNiSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1188446
The Materials Project. 2020. "Materials Data on BaNiSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1188446. https://www.osti.gov/servlets/purl/1188446. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188446,
title = {Materials Data on BaNiSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaNiSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Ni and twelve Sn atoms. There are one shorter (3.77 Å) and four longer (3.87 Å) Ba–Ni bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.54–3.70 Å. Ni is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.57 Å) and four longer (2.63 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ba, two equivalent Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.13 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Ba, one Ni, and four equivalent Sn atoms.},
doi = {10.17188/1188446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}