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DOE OSTI · 1190603

Materials Data on Lu2MnS4 by Materials Project

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Abstract

MnLu2S4 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 MnS4 tetrahedra and edges with six equivalent LuS6 octahedra. All Lu–S bond lengths are 2.68 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent LuS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–S bond lengths are 2.44 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Lu3+ and one Mn2+ atom.

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36 MATERIALS SCIENCEcrystal structureLu-Mn-SLu2MnS4

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2020-07-14. Materials Data on Lu2MnS4 by Materials Project. https://doi.org/10.17188/1190603

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