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DOE OSTI · 1753794

Materials Data on CsK2AsBr6 by Materials Project

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Abstract

(K)2CsAsBr6 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 CsAsBr6 framework. In the CsAsBr6 framework, Cs1+ is bonded to six equivalent Br1- atoms to form CsBr6 octahedra that share corners with six equivalent AsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Br bond lengths are 3.36 Å. As3+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.66 Å. Br1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.

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36 MATERIALS SCIENCEAs-Br-Cs-Kcrystal structureCsK2AsBr6

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2020-05-02. Materials Data on CsK2AsBr6 by Materials Project. https://doi.org/10.17188/1753794

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