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DOE OSTI · 1728987

Materials Data on K2YInCl6 by Materials Project

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Abstract

(K)2YInCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one YInCl6 framework. In the YInCl6 framework, Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Cl bond lengths are 2.64 Å. In1+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent YCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 3.03 Å. Cl1- is bonded in a linear geometry to one Y3+ and one In1+ atom.

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36 MATERIALS SCIENCECl-In-K-Ycrystal structureK2YInCl6

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2020-05-03. Materials Data on K2YInCl6 by Materials Project. https://doi.org/10.17188/1728987

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