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DOE OSTI · 1271388

Materials Data on Sc2ZnSe4 by Materials Project

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Abstract

Sc2ZnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent ScSe6 octahedra. All Sc–Se bond lengths are 2.72 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent ScSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–Se bond lengths are 2.49 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc3+ and one Zn2+ atom.

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36 MATERIALS SCIENCEcrystal structureSc-Se-ZnSc2ZnSe4

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2020-05-02. Materials Data on Sc2ZnSe4 by Materials Project. https://doi.org/10.17188/1271388

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