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DOE OSTI · 1741125

Materials Data on Sr5Mg by Materials Project

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Abstract

Sr5Mg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Sr–Sr bond lengths are 4.30 Å. All Sr–Mg bond lengths are 3.56 Å. In the second Sr site, Sr is bonded to twelve Sr atoms to form a mixture of edge, face, and corner-sharing SrSr12 cuboctahedra. There are three shorter (4.26 Å) and six longer (4.28 Å) Sr–Sr bond lengths. In the third Sr site, Sr is bonded to twelve Sr atoms to form a mixture of edge, face, and corner-sharing SrSr12 cuboctahedra. All Sr–Sr bond lengths are 4.28 Å. Mg is bonded in a 6-coordinate geometry to six equivalent Sr atoms.

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36 MATERIALS SCIENCEcrystal structureMg-SrSr5Mg

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2020-05-05. Materials Data on Sr5Mg by Materials Project. https://doi.org/10.17188/1741125

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