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DOE OSTI · 1738134

Materials Data on Sr2ZnSb2 by Materials Project

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Abstract

Sr2ZnSb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six Sb3- atoms to form a mixture of distorted edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are three shorter (3.29 Å) and three longer (3.71 Å) Sr–Sb bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Zn–Sb bond lengths are 2.71 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six equivalent Sr2+ atoms. In the second Sb3- site, Sb3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.

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36 MATERIALS SCIENCEcrystal structureSb-Sr-ZnSr2ZnSb2

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2020-05-02. Materials Data on Sr2ZnSb2 by Materials Project. https://doi.org/10.17188/1738134

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