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DOE OSTI · 1746697

Materials Data on ZnGeAs2 by Materials Project

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Abstract

ZnGeAs2 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 GeAs4 tetrahedra. All Zn–As bond lengths are 2.46 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Ge–As bond lengths are 2.51 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form corner-sharing AsZn2Ge2 tetrahedra.

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36 MATERIALS SCIENCEAs-Ge-Zncrystal structureZnGeAs2

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2020-05-02. Materials Data on ZnGeAs2 by Materials Project. https://doi.org/10.17188/1746697

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