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DOE OSTI · 1272405

Materials Data on Yb2FeS4 by Materials Project

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Abstract

FeYb2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb+2.50+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent YbS6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Fe–S bond lengths are 2.24 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent Yb+2.50+ and one Fe3+ atom.

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36 MATERIALS SCIENCEcrystal structureFe-S-YbYb2FeS4

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2020-07-17. Materials Data on Yb2FeS4 by Materials Project. https://doi.org/10.17188/1272405

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