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DOE OSTI · 1191494

Materials Data on Mn(CrS2)2 by Materials Project

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Abstract

MnCr2S4 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 MnS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.43 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Mn–S bond lengths are 2.38 Å. S2- is bonded to three equivalent Cr3+ and one Mn2+ atom to form a mixture of distorted edge and corner-sharing SMnCr3 trigonal pyramids.

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36 MATERIALS SCIENCECr-Mn-Scrystal structureMn(CrS2)2

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2020-07-16. Materials Data on Mn(CrS2)2 by Materials Project. https://doi.org/10.17188/1191494

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