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DOE OSTI · 1678572

Materials Data on SrPbS2 by Materials Project

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Abstract

SrPbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent S2- atoms to form SrS6 octahedra that share corners with six equivalent PbS6 octahedra, edges with six equivalent SrS6 octahedra, and edges with six equivalent PbS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Sr–S bond lengths are 3.01 Å. Pb2+ is bonded to six equivalent S2- atoms to form PbS6 octahedra that share corners with six equivalent SrS6 octahedra, edges with six equivalent SrS6 octahedra, and edges with six equivalent PbS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Pb–S bond lengths are 3.04 Å. S2- is bonded to three equivalent Sr2+ and three equivalent Pb2+ atoms to form a mixture of edge and corner-sharing SSr3Pb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structurePb-S-SrSrPbS2

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2020-05-02. Materials Data on SrPbS2 by Materials Project. https://doi.org/10.17188/1678572

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