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DOE OSTI · 1685088

Materials Data on Zn(GaS2)2 by Materials Project

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Abstract

ZnGa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent GaS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.36 Å. Ga3+ is bonded to six equivalent S2- atoms to form GaS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent GaS6 octahedra. All Ga–S bond lengths are 2.47 Å. S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SZnGa3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureGa-S-ZnZn(GaS2)2

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2020-05-02. Materials Data on Zn(GaS2)2 by Materials Project. https://doi.org/10.17188/1685088

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