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DOE OSTI · 1720833

Materials Data on CsK2InCl6 by Materials Project

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Abstract

(K)2CsInCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one CsInCl6 framework. In the CsInCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one In3+ atom.

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36 MATERIALS SCIENCECl-Cs-In-Kcrystal structureCsK2InCl6

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2020-05-03. Materials Data on CsK2InCl6 by Materials Project. https://doi.org/10.17188/1720833

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