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Title: Materials Data on Mg2Ga by Materials Project

Abstract

Mg2Ga crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form a mixture of distorted edge and corner-sharing MgGa4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.97–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-30650
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:
1205025
DOI:
https://doi.org/10.17188/1205025

Citation Formats

The Materials Project. Materials Data on Mg2Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205025.
The Materials Project. Materials Data on Mg2Ga by Materials Project. United States. doi:https://doi.org/10.17188/1205025
The Materials Project. 2020. "Materials Data on Mg2Ga by Materials Project". United States. doi:https://doi.org/10.17188/1205025. https://www.osti.gov/servlets/purl/1205025. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205025,
title = {Materials Data on Mg2Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ga crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form a mixture of distorted edge and corner-sharing MgGa4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.97–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms.},
doi = {10.17188/1205025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}