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DOE OSTI · 1324714

Materials Data on HoTlS2 by Materials Project

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Abstract

HoTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ho–S bond lengths are 2.75 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent HoS6 octahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.26 Å. S2- is bonded to three equivalent Ho3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing SHo3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureHo-S-TlHoTlS2

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2020-07-16. Materials Data on HoTlS2 by Materials Project. https://doi.org/10.17188/1324714

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