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DOE OSTI · 1696245

Materials Data on CsFeBr4 by Materials Project

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Abstract

CsFeBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.72–4.12 Å. Fe3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Fe–Br bond distances ranging from 2.34–2.36 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Fe3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Fe3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom.

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36 MATERIALS SCIENCEBr-Cs-Fecrystal structureCsFeBr4

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2020-05-01. Materials Data on CsFeBr4 by Materials Project. https://doi.org/10.17188/1696245

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