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DOE OSTI · 1745221

Materials Data on ZnSnAs2 by Materials Project

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Abstract

ZnSnAs2 is beta beryllia-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with six equivalent ZnAs4 tetrahedra and corners with six equivalent SnAs4 tetrahedra. There are three shorter (2.47 Å) and one longer (2.61 Å) Zn–As bond lengths. Sn4+ is bonded to four As3- atoms to form SnAs4 tetrahedra that share corners with six equivalent ZnAs4 tetrahedra and corners with six equivalent SnAs4 tetrahedra. There are one shorter (2.60 Å) and three longer (2.70 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Zn2+ and one Sn4+ atom to form distorted corner-sharing AsZn3Sn tetrahedra. In the second As3- site, As3- is bonded to one Zn2+ and three equivalent Sn4+ atoms to form corner-sharing AsZnSn3 tetrahedra.

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36 MATERIALS SCIENCEAs-Sn-Zncrystal structureZnSnAs2

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2020-05-02. Materials Data on ZnSnAs2 by Materials Project. https://doi.org/10.17188/1745221

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