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DOE OSTI · 1197318

Materials Data on Zn(InS2)2 by Materials Project

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Abstract

ZnIn2S4 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 InS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–S bond lengths are 2.41 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.64 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-S-ZnZn(InS2)2

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2020-07-17. Materials Data on Zn(InS2)2 by Materials Project. https://doi.org/10.17188/1197318

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