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DOE OSTI · 1747583

Materials Data on ZnSnAs2 by Materials Project

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Abstract

ZnSnAs2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Zn–As bond lengths are 2.49 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing AsZn2Sn2 tetrahedra.

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36 MATERIALS SCIENCEAs-Sn-Zncrystal structureZnSnAs2

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2020-05-03. Materials Data on ZnSnAs2 by Materials Project. https://doi.org/10.17188/1747583

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