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DOE OSTI · 1698944

Materials Data on MgSb2 by Materials Project

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Abstract

MgSb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgSb2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 7-coordinate geometry to seven Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.02–3.31 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and one Sb1- atom. The Sb–Sb bond length is 3.03 Å. In the second Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four equivalent Mg2+ and three Sb1- atoms. Both Sb–Sb bond lengths are 3.22 Å.

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36 MATERIALS SCIENCEcrystal structureMg-SbMgSb2

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2020-05-02. Materials Data on MgSb2 by Materials Project. https://doi.org/10.17188/1698944

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