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DOE OSTI · 1351475

Materials Data on KLiICl by Materials Project

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Abstract

KLiICl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing KI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–I bond lengths are 3.43 Å. All K–Cl bond lengths are 3.05 Å. Li1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Li–I bond lengths are 3.05 Å. I1- is bonded to two equivalent K1+ and four equivalent Li1+ atoms to form a mixture of corner and edge-sharing IK2Li4 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.

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36 MATERIALS SCIENCECl-I-K-Licrystal structureKLiICl

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2020-05-03. Materials Data on KLiICl by Materials Project. https://doi.org/10.17188/1351475

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