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DOE OSTI · 1317483

Materials Data on SmTlTe2 by Materials Project

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Abstract

SmTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent SmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Sm–Te bond lengths are 3.16 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent SmTe6 octahedra, edges with six equivalent SmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Sm3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeSm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureSm-Te-TlSmTlTe2

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2020-05-02. Materials Data on SmTlTe2 by Materials Project. https://doi.org/10.17188/1317483

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