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DOE OSTI · 1753288

Materials Data on MgSb by Materials Project

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Abstract

MgSb crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to eight Sb2- atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. There are a spread of Mg–Sb bond distances ranging from 2.92–3.31 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.97–3.06 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to five Mg2+ atoms. In the second Sb2- site, Sb2- is bonded to six Mg2+ atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.

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36 MATERIALS SCIENCEcrystal structureMg-SbMgSb

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2020-05-02. Materials Data on MgSb by Materials Project. https://doi.org/10.17188/1753288

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