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DOE OSTI · 1672897

Materials Data on YTlTe2 by Materials Project

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Abstract

YTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent YTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Y–Te bond lengths are 3.11 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent YTe6 octahedra, edges with six equivalent YTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Y3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeY3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureTe-Tl-YYTlTe2

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2020-05-09. Materials Data on YTlTe2 by Materials Project. https://doi.org/10.17188/1672897

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