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DOE OSTI · 1677717

Materials Data on Sr2SeS by Materials Project

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Abstract

Sr2SeS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of edge and corner-sharing SrSe3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–Se bond lengths are 3.13 Å. All Sr–S bond lengths are 3.06 Å. Se2- is bonded to six equivalent Sr2+ atoms to form SeSr6 octahedra that share corners with six equivalent SSr6 octahedra, edges with six equivalent SeSr6 octahedra, and edges with six equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 2°. S2- is bonded to six equivalent Sr2+ atoms to form SSr6 octahedra that share corners with six equivalent SeSr6 octahedra, edges with six equivalent SeSr6 octahedra, and edges with six equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 2°.

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36 MATERIALS SCIENCEcrystal structureS-Se-SrSr2SeS

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2020-05-03. Materials Data on Sr2SeS by Materials Project. https://doi.org/10.17188/1677717

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