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DOE OSTI · 1654125

Materials Data on K2ScInI6 by Materials Project

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Abstract

(K)2ScInI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one ScInI6 framework. In the ScInI6 framework, Sc3+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–I bond lengths are 2.90 Å. In1+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 3.31 Å. I1- is bonded in a linear geometry to one Sc3+ and one In1+ atom.

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36 MATERIALS SCIENCEcrystal structureI-In-K-ScK2ScInI6

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2020-07-15. Materials Data on K2ScInI6 by Materials Project. https://doi.org/10.17188/1654125

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