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DOE OSTI · 1697951

Materials Data on In2CoSe4 by Materials Project

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Abstract

CoIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Co–Se bond lengths are 2.31 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent CoSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.81 Å. Se2- is bonded in a rectangular see-saw-like geometry to one Co2+ and three equivalent In3+ atoms.

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36 MATERIALS SCIENCECo-In-Secrystal structureIn2CoSe4

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2020-05-03. Materials Data on In2CoSe4 by Materials Project. https://doi.org/10.17188/1697951

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