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Title: Materials Data on Ba2AlGa3 by Materials Project

Abstract

Ba2Ga3Al crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to nine Ga and three equivalent Al atoms. There are a spread of Ba–Ga bond distances ranging from 3.33–3.74 Å. There are one shorter (3.44 Å) and two longer (3.73 Å) Ba–Al bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to nine Ga and three equivalent Al atoms. There are a spread of Ba–Ga bond distances ranging from 3.32–3.74 Å. There are two shorter (3.34 Å) and one longer (3.49 Å) Ba–Al bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, three Ga, and one Al atom. All Ga–Ga bond lengths are 2.86 Å. The Ga–Al bond length is 2.79 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, two Ga, and two equivalent Al atoms. The Ga–Ga bond length is 2.82 Å. Both Ga–Al bond lengths are 2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry tomore » six Ba, three Ga, and one Al atom. The Ga–Al bond length is 2.84 Å. Al is bonded in a 10-coordinate geometry to six Ba and four Ga atoms.« less

Publication Date:
Other Number(s):
mp-1228405
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; Ba2AlGa3; Al-Ba-Ga
OSTI Identifier:
1656150
DOI:
https://doi.org/10.17188/1656150

Citation Formats

The Materials Project. Materials Data on Ba2AlGa3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656150.
The Materials Project. Materials Data on Ba2AlGa3 by Materials Project. United States. doi:https://doi.org/10.17188/1656150
The Materials Project. 2020. "Materials Data on Ba2AlGa3 by Materials Project". United States. doi:https://doi.org/10.17188/1656150. https://www.osti.gov/servlets/purl/1656150. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656150,
title = {Materials Data on Ba2AlGa3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Ga3Al crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to nine Ga and three equivalent Al atoms. There are a spread of Ba–Ga bond distances ranging from 3.33–3.74 Å. There are one shorter (3.44 Å) and two longer (3.73 Å) Ba–Al bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to nine Ga and three equivalent Al atoms. There are a spread of Ba–Ga bond distances ranging from 3.32–3.74 Å. There are two shorter (3.34 Å) and one longer (3.49 Å) Ba–Al bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, three Ga, and one Al atom. All Ga–Ga bond lengths are 2.86 Å. The Ga–Al bond length is 2.79 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, two Ga, and two equivalent Al atoms. The Ga–Ga bond length is 2.82 Å. Both Ga–Al bond lengths are 2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, three Ga, and one Al atom. The Ga–Al bond length is 2.84 Å. Al is bonded in a 10-coordinate geometry to six Ba and four Ga atoms.},
doi = {10.17188/1656150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}