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DOE OSTI · 1680927

Materials Data on KIn3 by Materials Project

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Abstract

KIn3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to fourteen In atoms. There are a spread of K–In bond distances ranging from 3.39–3.94 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent K and four equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing InK4In4 tetrahedra. All In–In bond lengths are 3.39 Å. In the second In site, In is bonded in a 12-coordinate geometry to six equivalent K and eight equivalent In atoms.

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36 MATERIALS SCIENCEcrystal structureIn-KKIn3

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2020-05-02. Materials Data on KIn3 by Materials Project. https://doi.org/10.17188/1680927

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