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DOE OSTI · 1692536

Materials Data on K2TlSbBr6 by Materials Project

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Abstract

(K)2TlSbBr6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlSbBr6 framework. In the TlSbBr6 framework, Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent SbBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.12 Å. Sb3+ is bonded to six equivalent Br1- atoms to form SbBr6 octahedra that share corners with six equivalent TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Br bond lengths are 2.81 Å. Br1- is bonded in a linear geometry to one Tl1+ and one Sb3+ atom.

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36 MATERIALS SCIENCEBr-K-Sb-Tlcrystal structureK2TlSbBr6

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2020-05-03. Materials Data on K2TlSbBr6 by Materials Project. https://doi.org/10.17188/1692536

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