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DOE OSTI · 1208343

Materials Data on Zn(CrSe2)2 by Materials Project

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Abstract

ZnCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.54 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–Se bond lengths are 2.49 Å. Se2- is bonded to three equivalent Cr3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SeZnCr3 trigonal pyramids.

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36 MATERIALS SCIENCECr-Se-Zncrystal structureZn(CrSe2)2

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2020-07-14. Materials Data on Zn(CrSe2)2 by Materials Project. https://doi.org/10.17188/1208343

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