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DOE OSTI · 1715621

Materials Data on Al2ZnSe4 by Materials Project

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Abstract

ZnAl2Se4 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 AlSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–Se bond lengths are 2.49 Å. Al3+ is bonded to six equivalent Se2- atoms to form AlSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent AlSe6 octahedra. All Al–Se bond lengths are 2.58 Å. Se2- is bonded to one Zn2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SeAl3Zn trigonal pyramids.

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36 MATERIALS SCIENCEAl-Se-ZnAl2ZnSe4crystal structure

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2020-05-04. Materials Data on Al2ZnSe4 by Materials Project. https://doi.org/10.17188/1715621

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