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DOE OSTI · 1743981

Materials Data on CsK2AsCl6 by Materials Project

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Abstract

(K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.

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36 MATERIALS SCIENCEAs-Cl-Cs-Kcrystal structureCsK2AsCl6

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2020-05-04. Materials Data on CsK2AsCl6 by Materials Project. https://doi.org/10.17188/1743981

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