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DOE OSTI · 1653292

Materials Data on K3TlI6 by Materials Project

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Abstract

(K)2KTlI6 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 KTlI6 framework. In the KTlI6 framework, K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.35 Å. Tl3+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.01 Å. I1- is bonded in a linear geometry to one K1+ and one Tl3+ atom.

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36 MATERIALS SCIENCEcrystal structureI-K-TlK3TlI6

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2020-07-15. Materials Data on K3TlI6 by Materials Project. https://doi.org/10.17188/1653292

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