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Title: Materials Data on Mg2Ga by Materials Project

Abstract

Mg2Ga crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.15 Å. There are two shorter (3.00 Å) and two longer (3.05 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with six equivalent MgMg6Ga6 cuboctahedra, edges with eighteen MgMg8Ga4 cuboctahedra, and faces with twelve equivalent MgMg8Ga4 cuboctahedra. All Mg–Ga bond lengths are 3.14 Å. Ga is bonded in a 12-coordinate geometry to nine Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1094625
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; Mg2Ga; Ga-Mg
OSTI Identifier:
1654840
DOI:
https://doi.org/10.17188/1654840

Citation Formats

The Materials Project. Materials Data on Mg2Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654840.
The Materials Project. Materials Data on Mg2Ga by Materials Project. United States. doi:https://doi.org/10.17188/1654840
The Materials Project. 2020. "Materials Data on Mg2Ga by Materials Project". United States. doi:https://doi.org/10.17188/1654840. https://www.osti.gov/servlets/purl/1654840. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1654840,
title = {Materials Data on Mg2Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ga crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.15 Å. There are two shorter (3.00 Å) and two longer (3.05 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with six equivalent MgMg6Ga6 cuboctahedra, edges with eighteen MgMg8Ga4 cuboctahedra, and faces with twelve equivalent MgMg8Ga4 cuboctahedra. All Mg–Ga bond lengths are 3.14 Å. Ga is bonded in a 12-coordinate geometry to nine Mg atoms.},
doi = {10.17188/1654840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}