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DOE OSTI · 1726878

Materials Data on K2RbAlI6 by Materials Project

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Abstract

(K)2RbAlI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one RbAlI6 framework. In the RbAlI6 framework, Rb1+ is bonded to six equivalent I1- atoms to form RbI6 octahedra that share corners with six equivalent AlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–I bond lengths are 3.45 Å. Al3+ is bonded to six equivalent I1- atoms to form AlI6 octahedra that share corners with six equivalent RbI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–I bond lengths are 2.77 Å. I1- is bonded in a linear geometry to one Rb1+ and one Al3+ atom.

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36 MATERIALS SCIENCEAl-I-K-Rbcrystal structureK2RbAlI6

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2020-05-02. Materials Data on K2RbAlI6 by Materials Project. https://doi.org/10.17188/1726878

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DOE OSTI2026

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