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DOE OSTI · 1690692

Materials Data on CsK2GaCl6 by Materials Project

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Abstract

(K)2CsGaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsGaCl6 framework. In the CsGaCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent GaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.21 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.39 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one Ga3+ atom.

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36 MATERIALS SCIENCECl-Cs-Ga-Kcrystal structureCsK2GaCl6

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2020-05-03. Materials Data on CsK2GaCl6 by Materials Project. https://doi.org/10.17188/1690692

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36 MATERIALS SCIENCE↗