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DOE OSTI · 1318146

Materials Data on Zn(FeS2)2 by Materials Project

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Abstract

ZnFe2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.29 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Zn–S bond lengths are 2.33 Å. S2- is bonded to three equivalent Fe3+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing SZnFe3 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureFe-S-ZnZn(FeS2)2

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2020-07-22. Materials Data on Zn(FeS2)2 by Materials Project. https://doi.org/10.17188/1318146

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