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DOE OSTI · 1758991

Materials Data on CsK2InF6 by Materials Project

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Abstract

CsK2InF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.78 Å. K1+ is bonded in a 12-coordinate geometry to twelve equivalent F1- atoms. All K–F bond lengths are 3.47 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.10 Å. F1- is bonded in a linear geometry to one Cs1+, four equivalent K1+, and one In3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-F-In-KCsK2InF6

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2020-09-03. Materials Data on CsK2InF6 by Materials Project. https://doi.org/10.17188/1758991

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