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DOE OSTI · 1747824

Materials Data on Sr5Mg by Materials Project

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Abstract

Sr5Mg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to five Sr and two equivalent Mg atoms. There are a spread of Sr–Sr bond distances ranging from 4.10–4.29 Å. Both Sr–Mg bond lengths are 3.63 Å. In the second Sr site, Sr is bonded in a 2-coordinate geometry to three Sr and two equivalent Mg atoms. There are one shorter (3.92 Å) and two longer (3.99 Å) Sr–Sr bond lengths. Both Sr–Mg bond lengths are 3.61 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to four Sr and two equivalent Mg atoms. There are two shorter (4.05 Å) and two longer (4.38 Å) Sr–Sr bond lengths. Both Sr–Mg bond lengths are 3.79 Å. In the fourth Sr site, Sr is bonded in a 8-coordinate geometry to eight Sr atoms. Both Sr–Sr bond lengths are 4.10 Å. In the fifth Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form a mixture of distorted face and corner-sharing SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.41 Å. Both Sr–Mg bond lengths are 3.98 Å. Mg is bonded in a distorted body-centered cubic geometry to eight Sr atoms.

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36 MATERIALS SCIENCEcrystal structureMg-SrSr5Mg

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2020-05-02. Materials Data on Sr5Mg by Materials Project. https://doi.org/10.17188/1747824

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36 MATERIALS SCIENCE↗