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DOE OSTI · 1199209

Materials Data on CsCu2Cl3 by Materials Project

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Abstract

CsCu2Cl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.53–3.70 Å. Cu1+ is bonded to four Cl1- atoms to form a mixture of edge and corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.49 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Cu1+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Cu1+ atoms.

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36 MATERIALS SCIENCECl-Cs-Cucrystal structureCsCu2Cl3

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2020-07-15. Materials Data on CsCu2Cl3 by Materials Project. https://doi.org/10.17188/1199209

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