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DOE OSTI · 1746342

Materials Data on K2TlInBr6 by Materials Project

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Abstract

(K)2TlInBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlInBr6 framework. In the TlInBr6 framework, Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent InBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.13 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.71 Å. Br1- is bonded in a linear geometry to one Tl1+ and one In3+ atom.

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36 MATERIALS SCIENCEBr-In-K-Tlcrystal structureK2TlInBr6

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2020-05-02. Materials Data on K2TlInBr6 by Materials Project. https://doi.org/10.17188/1746342

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