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DOE OSTI · 1714920

Materials Data on CsK2AlCl6 by Materials Project

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Abstract

CsK2AlCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AlCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. K1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. All K–Cl bond lengths are 3.96 Å. Al3+ is bonded to six equivalent Cl1- atoms to form AlCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Cl bond lengths are 2.34 Å. Cl1- is bonded in a distorted linear geometry to one Cs1+, four equivalent K1+, and one Al3+ atom.

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36 MATERIALS SCIENCEAl-Cl-Cs-Kcrystal structureCsK2AlCl6

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2020-05-03. Materials Data on CsK2AlCl6 by Materials Project. https://doi.org/10.17188/1714920

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