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Title: Materials Data on Sr2AlGa3 by Materials Project

Abstract

Sr2Ga3Al is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to nine Ga and three equivalent Al atoms to form a mixture of edge and face-sharing SrAl3Ga9 cuboctahedra. All Sr–Ga bond lengths are 3.48 Å. All Sr–Al bond lengths are 3.48 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.54 Å. In the second Ga site, Ga is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Al atoms. All Ga–Al bond lengths are 2.54 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ga atoms. Al is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ga atoms.

Authors:
Publication Date:
Other Number(s):
mp-1218855
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2AlGa3; Al-Ga-Sr
OSTI Identifier:
1738476
DOI:
https://doi.org/10.17188/1738476

Citation Formats

The Materials Project. Materials Data on Sr2AlGa3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738476.
The Materials Project. Materials Data on Sr2AlGa3 by Materials Project. United States. doi:https://doi.org/10.17188/1738476
The Materials Project. 2020. "Materials Data on Sr2AlGa3 by Materials Project". United States. doi:https://doi.org/10.17188/1738476. https://www.osti.gov/servlets/purl/1738476. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738476,
title = {Materials Data on Sr2AlGa3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Ga3Al is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to nine Ga and three equivalent Al atoms to form a mixture of edge and face-sharing SrAl3Ga9 cuboctahedra. All Sr–Ga bond lengths are 3.48 Å. All Sr–Al bond lengths are 3.48 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.54 Å. In the second Ga site, Ga is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Al atoms. All Ga–Al bond lengths are 2.54 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ga atoms. Al is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ga atoms.},
doi = {10.17188/1738476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}