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DOE OSTI · 1737171

Materials Data on Cs3YBr6 by Materials Project

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Abstract

(Cs)2CsYBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium-133 molecules and one CsYBr6 framework. In the CsYBr6 framework, Cs1+ is bonded to six equivalent Br1- atoms to form CsBr6 octahedra that share corners with six equivalent YBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Br bond lengths are 3.43 Å. Y3+ is bonded to six equivalent Br1- atoms to form YBr6 octahedra that share corners with six equivalent CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Br bond lengths are 2.80 Å. Br1- is bonded in a linear geometry to one Cs1+ and one Y3+ atom.

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36 MATERIALS SCIENCEBr-Cs-Ycrystal structureCs3YBr6

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2020-05-02. Materials Data on Cs3YBr6 by Materials Project. https://doi.org/10.17188/1737171

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DOE OSTI2026

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