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DOE OSTI · 1274215

Materials Data on Cs(WCl3)3 by Materials Project

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Abstract

Cs(WCl3)3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (3.65 Å) and three longer (3.68 Å) Cs–Cl bond lengths. W+2.67+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.41–2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one W+2.67+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms.

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36 MATERIALS SCIENCECl-Cs-Wcrystal structureCs(WCl3)3

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2020-07-22. Materials Data on Cs(WCl3)3 by Materials Project. https://doi.org/10.17188/1274215

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36 MATERIALS SCIENCE↗