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DOE OSTI · 1709373

Materials Data on Sr2ZnAs2 by Materials Project

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Abstract

Sr2ZnAs2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six As3- atoms to form a mixture of distorted edge, corner, and face-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are three shorter (3.08 Å) and three longer (3.57 Å) Sr–As bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Zn–As bond lengths are 2.53 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six equivalent Sr2+ atoms. In the second As3- site, As3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.

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36 MATERIALS SCIENCEAs-Sr-Zncrystal structureSr2ZnAs2

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2020-05-02. Materials Data on Sr2ZnAs2 by Materials Project. https://doi.org/10.17188/1709373

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