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DOE OSTI · 1271389

Materials Data on Zn(InSe2)2 by Materials Project

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Abstract

ZnIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–Se bond lengths are 2.54 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.78 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-Se-ZnZn(InSe2)2

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2020-04-29. Materials Data on Zn(InSe2)2 by Materials Project. https://doi.org/10.17188/1271389

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