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Title: Materials Data on Ba10Ga by Materials Project

Abstract

Ba10Ga crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted linear geometry to two equivalent Ga atoms. Both Ba–Ga bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Ba and one Ga atom. Both Ba–Ba bond lengths are 4.76 Å. The Ba–Ga bond length is 4.03 Å. In the third Ba site, Ba is bonded to twelve equivalent Ba atoms to form BaBa12 cuboctahedra that share edges with six equivalent BaBa12 cuboctahedra and edges with six equivalent GaBa12 cuboctahedra. Ga is bonded to twelve Ba atoms to form GaBa12 cuboctahedra that share corners with six equivalent GaBa12 cuboctahedra and edges with six equivalent BaBa12 cuboctahedra.

Publication Date:
Other Number(s):
mp-30430
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; Ba10Ga; Ba-Ga
OSTI Identifier:
1204840
DOI:
10.17188/1204840

Citation Formats

The Materials Project. Materials Data on Ba10Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204840.
The Materials Project. Materials Data on Ba10Ga by Materials Project. United States. doi:10.17188/1204840.
The Materials Project. 2020. "Materials Data on Ba10Ga by Materials Project". United States. doi:10.17188/1204840. https://www.osti.gov/servlets/purl/1204840. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204840,
title = {Materials Data on Ba10Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Ba10Ga crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted linear geometry to two equivalent Ga atoms. Both Ba–Ga bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Ba and one Ga atom. Both Ba–Ba bond lengths are 4.76 Å. The Ba–Ga bond length is 4.03 Å. In the third Ba site, Ba is bonded to twelve equivalent Ba atoms to form BaBa12 cuboctahedra that share edges with six equivalent BaBa12 cuboctahedra and edges with six equivalent GaBa12 cuboctahedra. Ga is bonded to twelve Ba atoms to form GaBa12 cuboctahedra that share corners with six equivalent GaBa12 cuboctahedra and edges with six equivalent BaBa12 cuboctahedra.},
doi = {10.17188/1204840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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