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DOE OSTI · 1754004

Materials Data on CsK2TlF6 by Materials Project

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Abstract

(K)2CsTlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsTlF6 framework. In the CsTlF6 framework, Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.77 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.19 Å. F1- is bonded in a linear geometry to one Cs1+ and one Tl3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-F-K-TlCsK2TlF6

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2020-05-02. Materials Data on CsK2TlF6 by Materials Project. https://doi.org/10.17188/1754004

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