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DOE OSTI · 1190604

Materials Data on Lu2FeS4 by Materials Project

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Abstract

FeLu2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent S2- atoms to form LuS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent LuS6 octahedra. All Lu–S bond lengths are 2.68 Å. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent LuS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Fe–S bond lengths are 2.37 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent Lu3+ and one Fe2+ atom.

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36 MATERIALS SCIENCEcrystal structureFe-Lu-SLu2FeS4

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2020-07-15. Materials Data on Lu2FeS4 by Materials Project. https://doi.org/10.17188/1190604

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