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DOE OSTI · 1738207

Materials Data on SrMg2 by Materials Project

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Abstract

Mg2Sr is Tungsten Carbide-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six Mg atoms. There are three shorter (3.59 Å) and three longer (3.62 Å) Sr–Mg bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg atoms to form distorted edge-sharing MgMg6 pentagonal pyramids. All Mg–Mg bond lengths are 3.07 Å. In the second Mg site, Mg is bonded to three equivalent Sr and three equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing MgSr3Mg3 pentagonal pyramids. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent Sr atoms.

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36 MATERIALS SCIENCEcrystal structureMg-SrSrMg2

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2020-05-02. Materials Data on SrMg2 by Materials Project. https://doi.org/10.17188/1738207

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