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DOE OSTI · 1750400

Materials Data on CsRb2YCl6 by Materials Project

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Abstract

(Rb)2CsYCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one CsYCl6 framework. In the CsYCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent YCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.26 Å. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Cl bond lengths are 2.64 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one Y3+ atom.

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36 MATERIALS SCIENCECl-Cs-Rb-Ycrystal structureCsRb2YCl6

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2020-05-02. Materials Data on CsRb2YCl6 by Materials Project. https://doi.org/10.17188/1750400

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