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DOE OSTI · 1196261

Materials Data on Cr2FeS4 by Materials Project

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Abstract

FeCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.42 Å. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–S bond lengths are 2.31 Å. S2- is bonded to three equivalent Cr3+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing SCr3Fe trigonal pyramids.

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36 MATERIALS SCIENCECr-Fe-SCr2FeS4crystal structure

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2020-07-15. Materials Data on Cr2FeS4 by Materials Project. https://doi.org/10.17188/1196261

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