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DOE OSTI · 1205025

Materials Data on Mg2Ga by Materials Project

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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.

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36 MATERIALS SCIENCEcrystal structureGa-MgMg2Ga

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2020-07-18. Materials Data on Mg2Ga by Materials Project. https://doi.org/10.17188/1205025

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