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DOE OSTI · 1207642

Materials Data on Sc2MnS4 by Materials Project

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Abstract

MnSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent ScS6 octahedra. All Sc–S bond lengths are 2.59 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mn–S bond lengths are 2.41 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc3+ and one Mn2+ atom.

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36 MATERIALS SCIENCEcrystal structureMn-S-ScSc2MnS4

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2020-08-03. Materials Data on Sc2MnS4 by Materials Project. https://doi.org/10.17188/1207642

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