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DOE OSTI · 1720481

Materials Data on K3AsI6 by Materials Project

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Abstract

(K)2KAsI6 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 KAsI6 framework. In the KAsI6 framework, K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent AsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.35 Å. As3+ is bonded to six equivalent I1- atoms to form AsI6 octahedra that share corners with six equivalent KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–I bond lengths are 2.87 Å. I1- is bonded in a linear geometry to one K1+ and one As3+ atom.

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36 MATERIALS SCIENCEAs-I-Kcrystal structureK3AsI6

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2020-05-02. Materials Data on K3AsI6 by Materials Project. https://doi.org/10.17188/1720481

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