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DOE OSTI · 1696651

Materials Data on KSrI3 by Materials Project

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Abstract

KSrI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.59–4.16 Å. Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (3.30 Å) and four longer (3.32 Å) Sr–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded to two equivalent K1+ and two equivalent Sr2+ atoms to form distorted corner-sharing IK2Sr2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureI-K-SrKSrI3

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2020-05-09. Materials Data on KSrI3 by Materials Project. https://doi.org/10.17188/1696651

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