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DOE OSTI · 1732413

Materials Data on CsK2YF6 by Materials Project

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Abstract

(K)2CsYF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsYF6 framework. In the CsYF6 framework, Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent YF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.80 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.19 Å. F1- is bonded in a linear geometry to one Cs1+ and one Y3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-F-K-YCsK2YF6

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2020-05-03. Materials Data on CsK2YF6 by Materials Project. https://doi.org/10.17188/1732413

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DOE OSTI2026

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