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DOE OSTI · 1325078

Materials Data on TmTlTe2 by Materials Project

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Abstract

TmTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent TmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tm–Te bond lengths are 3.07 Å. Tl1+ is bonded to six equivalent Te2- atoms to form distorted TlTe6 octahedra that share corners with six equivalent TmTe6 octahedra, edges with six equivalent TmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Tm3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeTm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureTe-Tl-TmTmTlTe2

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2020-07-15. Materials Data on TmTlTe2 by Materials Project. https://doi.org/10.17188/1325078

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