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DOE OSTI · 1676344

Materials Data on K3TaI6 by Materials Project

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Abstract

(K)2KTaI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one KTaI6 framework. In the KTaI6 framework, K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent TaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.33 Å. Ta3+ is bonded to six equivalent I1- atoms to form TaI6 octahedra that share corners with six equivalent KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–I bond lengths are 2.83 Å. I1- is bonded in a linear geometry to one K1+ and one Ta3+ atom.

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36 MATERIALS SCIENCEcrystal structureI-K-TaK3TaI6

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2020-04-30. Materials Data on K3TaI6 by Materials Project. https://doi.org/10.17188/1676344

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