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DOE OSTI · 1742925

Materials Data on CsRb2GaI6 by Materials Project

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Abstract

(Rb)2CsGaI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one CsGaI6 framework. In the CsGaI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent GaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.59 Å. Ga3+ is bonded to six equivalent I1- atoms to form GaI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–I bond lengths are 2.81 Å. I1- is bonded in a linear geometry to one Cs1+ and one Ga3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-Ga-I-RbCsRb2GaI6

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2020-05-02. Materials Data on CsRb2GaI6 by Materials Project. https://doi.org/10.17188/1742925

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DOE OSTI2026

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