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Title: Materials Data on ScGa2 by Materials Project

Abstract

ScGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–3.00 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.06 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the third Ga site, Ga is bonded to six equivalent Sc and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaSc6Ga6 cuboctahedra. Both Ga–Ga bond lengths are 2.78 Å.

Publication Date:
Other Number(s):
mp-11413
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; ScGa2; Ga-Sc
OSTI Identifier:
1187809
DOI:
https://doi.org/10.17188/1187809

Citation Formats

The Materials Project. Materials Data on ScGa2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187809.
The Materials Project. Materials Data on ScGa2 by Materials Project. United States. doi:https://doi.org/10.17188/1187809
The Materials Project. 2020. "Materials Data on ScGa2 by Materials Project". United States. doi:https://doi.org/10.17188/1187809. https://www.osti.gov/servlets/purl/1187809. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187809,
title = {Materials Data on ScGa2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–3.00 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.06 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the third Ga site, Ga is bonded to six equivalent Sc and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaSc6Ga6 cuboctahedra. Both Ga–Ga bond lengths are 2.78 Å.},
doi = {10.17188/1187809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}