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DOE OSTI · 1204012

Materials Data on CuW3Cl7 by Materials Project

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Abstract

W3CuCl7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.49–2.52 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.26 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom. In the third Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.

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36 MATERIALS SCIENCECl-Cu-Wcrystal structureCuW3Cl7

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2020-04-29. Materials Data on CuW3Cl7 by Materials Project. https://doi.org/10.17188/1204012

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