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DOE OSTI · 1744113

Materials Data on Cs3Cl5O by Materials Project

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Abstract

(Cs3Cl5)2O2 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional and consists of two water molecules and one Cs3Cl5 framework. In the Cs3Cl5 framework, Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.29–3.85 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 7-coordinate geometry to six equivalent Cs and one Cl atom. The Cl–Cl bond length is 2.66 Å. In the second Cl site, Cl is bonded in a 4-coordinate geometry to four equivalent Cs atoms. In the third Cl site, Cl is bonded in a 7-coordinate geometry to six equivalent Cs and one Cl atom.

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36 MATERIALS SCIENCECl-Cs-Ocrystal structureCs3Cl5O

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2020-05-01. Materials Data on Cs3Cl5O by Materials Project. https://doi.org/10.17188/1744113

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