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DOE OSTI · 1199167

Materials Data on CsCu2Br3 by Materials Project

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Abstract

CsCu2Br3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.65–3.89 Å. Cu1+ is bonded to four Br1- atoms to form a mixture of edge and corner-sharing CuBr4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.56 Å) Cu–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Cu1+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEBr-Cs-Cucrystal structureCsCu2Br3

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2020-07-15. Materials Data on CsCu2Br3 by Materials Project. https://doi.org/10.17188/1199167

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