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DOE OSTI · 1709691

Materials Data on CsK2AlI6 by Materials Project

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Abstract

(K)2CsAlI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAlI6 framework. In the CsAlI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent AlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.58 Å. Al3+ is bonded to six equivalent I1- atoms to form AlI6 octahedra that share corners with six equivalent CsI6 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 Cs1+ and one Al3+ atom.

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36 MATERIALS SCIENCEAl-Cs-I-Kcrystal structureCsK2AlI6

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2020-04-30. Materials Data on CsK2AlI6 by Materials Project. https://doi.org/10.17188/1709691

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