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DOE OSTI · 1208437

Materials Data on Al2ZnS4 by Materials Project

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Abstract

ZnAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.35 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.43 Å. S2- is bonded to one Zn2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SAl3Zn trigonal pyramids.

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36 MATERIALS SCIENCEAl-S-ZnAl2ZnS4crystal structure

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2020-07-16. Materials Data on Al2ZnS4 by Materials Project. https://doi.org/10.17188/1208437

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