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DOE OSTI · 1689384

Materials Data on CsK2AlBr6 by Materials Project

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Abstract

(K)2CsAlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAlBr6 framework. In the CsAlBr6 framework, Cs1+ is bonded to six equivalent Br1- atoms to form CsBr6 octahedra that share corners with six equivalent AlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Br bond lengths are 3.36 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 octahedra that share corners with six equivalent CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Br bond lengths are 2.52 Å. Br1- is bonded in a linear geometry to one Cs1+ and one Al3+ atom.

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36 MATERIALS SCIENCEAl-Br-Cs-Kcrystal structureCsK2AlBr6

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2020-05-03. Materials Data on CsK2AlBr6 by Materials Project. https://doi.org/10.17188/1689384

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