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DOE OSTI · 1277593

Materials Data on CsInI4 by Materials Project

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Abstract

CsInI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.16–4.50 Å. In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.74–2.78 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one In3+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one In3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-I-InCsInI4

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2020-05-03. Materials Data on CsInI4 by Materials Project. https://doi.org/10.17188/1277593

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