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DOE OSTI · 1656160

Materials Data on Zn2SeS by Materials Project

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Abstract

Zn2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zn2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form corner-sharing ZnSe2S2 tetrahedra. Both Zn–Se bond lengths are 2.47 Å. Both Zn–S bond lengths are 2.38 Å. Se2- is bonded to four equivalent Zn2+ atoms to form SeZn4 tetrahedra that share corners with four equivalent SeZn4 tetrahedra and corners with eight equivalent SZn4 tetrahedra. S2- is bonded to four equivalent Zn2+ atoms to form SZn4 tetrahedra that share corners with four equivalent SZn4 tetrahedra and corners with eight equivalent SeZn4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureS-Se-ZnZn2SeS

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2020-07-21. Materials Data on Zn2SeS by Materials Project. https://doi.org/10.17188/1656160

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