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DOE OSTI · 1747535

Materials Data on K2YTlBr6 by Materials Project

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Abstract

(K)2YTlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one YTlBr6 framework. In the YTlBr6 framework, Y3+ is bonded to six equivalent Br1- atoms to form YBr6 octahedra that share corners with six equivalent TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Br bond lengths are 2.79 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent YBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.18 Å. Br1- is bonded in a linear geometry to one Y3+ and one Tl1+ atom.

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36 MATERIALS SCIENCEBr-K-Tl-Ycrystal structureK2YTlBr6

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2020-04-29. Materials Data on K2YTlBr6 by Materials Project. https://doi.org/10.17188/1747535

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