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DOE OSTI · 1715321

Materials Data on RbFeI4 by Materials Project

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Abstract

RbFeI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.92–4.30 Å. Fe3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Fe–I bond distances ranging from 2.54–2.59 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Fe3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Fe3+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Fe3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Fe3+ atom.

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36 MATERIALS SCIENCEcrystal structureFe-I-RbRbFeI4

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2020-04-30. Materials Data on RbFeI4 by Materials Project. https://doi.org/10.17188/1715321

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