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Title: Materials Data on Ba4Ga22Sn by Materials Project

Abstract

Ba4Ga22Sn crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to thirteen Ga and one Sn atom. There are a spread of Ba–Ga bond distances ranging from 3.29–3.72 Å. The Ba–Sn bond length is 3.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Ba, three equivalent Ga, and one Sn atom. All Ga–Ga bond lengths are 2.57 Å. The Ga–Sn bond length is 2.69 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ba and four Ga atoms. The Ga–Ga bond length is 2.57 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ga atoms.

Publication Date:
Other Number(s):
mp-1214544
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; Ba4Ga22Sn; Ba-Ga-Sn
OSTI Identifier:
1729332
DOI:
https://doi.org/10.17188/1729332

Citation Formats

The Materials Project. Materials Data on Ba4Ga22Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729332.
The Materials Project. Materials Data on Ba4Ga22Sn by Materials Project. United States. doi:https://doi.org/10.17188/1729332
The Materials Project. 2020. "Materials Data on Ba4Ga22Sn by Materials Project". United States. doi:https://doi.org/10.17188/1729332. https://www.osti.gov/servlets/purl/1729332. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1729332,
title = {Materials Data on Ba4Ga22Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4Ga22Sn crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to thirteen Ga and one Sn atom. There are a spread of Ba–Ga bond distances ranging from 3.29–3.72 Å. The Ba–Sn bond length is 3.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Ba, three equivalent Ga, and one Sn atom. All Ga–Ga bond lengths are 2.57 Å. The Ga–Sn bond length is 2.69 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ba and four Ga atoms. The Ga–Ga bond length is 2.57 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ga atoms.},
doi = {10.17188/1729332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}