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Title: Materials Data on BaGa4 by Materials Project

Abstract

BaGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.52 Å) and eight longer (3.57 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ba and five Ga atoms. There are one shorter (2.64 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Ga atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-335
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; BaGa4; Ba-Ga
OSTI Identifier:
1206596
DOI:
10.17188/1206596

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaGa4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206596.
Persson, Kristin, & Project, Materials. Materials Data on BaGa4 by Materials Project. United States. doi:10.17188/1206596.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaGa4 by Materials Project". United States. doi:10.17188/1206596. https://www.osti.gov/servlets/purl/1206596. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206596,
title = {Materials Data on BaGa4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.52 Å) and eight longer (3.57 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ba and five Ga atoms. There are one shorter (2.64 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Ga atoms.},
doi = {10.17188/1206596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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