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DOE OSTI · 1741668

Materials Data on SnTe2Pb by Materials Project

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Abstract

PbSnTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Te2- atoms to form PbTe6 octahedra that share corners with six equivalent SnTe6 octahedra, edges with six equivalent PbTe6 octahedra, and edges with six equivalent SnTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pb–Te bond lengths are 3.28 Å. Sn2+ is bonded to six equivalent Te2- atoms to form SnTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with six equivalent PbTe6 octahedra, and edges with six equivalent SnTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–Te bond lengths are 3.21 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form a mixture of corner and edge-sharing TeSn3Pb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structurePb-Sn-TeSnTe2Pb

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2020-05-04. Materials Data on SnTe2Pb by Materials Project. https://doi.org/10.17188/1741668

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