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DOE OSTI · 1683339

Materials Data on Mg2Ga by Materials Project

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Abstract

Mg2Ga crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg2Ga sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.20 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg9Ga3 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Ga bond lengths are 3.04 Å. Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

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36 MATERIALS SCIENCEcrystal structureGa-MgMg2Ga

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2020-05-03. Materials Data on Mg2Ga by Materials Project. https://doi.org/10.17188/1683339

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