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DOE OSTI · 1208259

Materials Data on TlSbTe2 by Materials Project

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Abstract

TlSbTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent SbTe6 octahedra, edges with six equivalent TlTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.42 Å. Sb3+ is bonded to six equivalent Te2- atoms to form SbTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent TlTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Sb–Te bond lengths are 3.12 Å. Te2- is bonded to three equivalent Tl1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing TeTl3Sb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureSb-Te-TlTlSbTe2

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2020-07-16. Materials Data on TlSbTe2 by Materials Project. https://doi.org/10.17188/1208259

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