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DOE OSTI · 1745607

Materials Data on KInI3 by Materials Project

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Abstract

KInI3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one InI3 framework. In the InI3 framework, there are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded to six equivalent I1- atoms to form corner-sharing InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 3.19 Å. In the second In2+ site, In2+ is bonded to six equivalent I1- atoms to form corner-sharing InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.98 Å. I1- is bonded in a linear geometry to two In2+ atoms.

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36 MATERIALS SCIENCEcrystal structureI-In-KKInI3

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2020-05-02. Materials Data on KInI3 by Materials Project. https://doi.org/10.17188/1745607

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