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DOE OSTI · 1731958

Materials Data on GdTlTe2 by Materials Project

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Abstract

TlGdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent Te2- atoms to form GdTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent GdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Gd–Te bond lengths are 3.13 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent GdTe6 octahedra, edges with six equivalent GdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Gd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeGd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGd-Te-TlGdTlTe2

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2020-05-02. Materials Data on GdTlTe2 by Materials Project. https://doi.org/10.17188/1731958

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