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DOE OSTI · 1654644

Materials Data on RbCu2I3 by Materials Project

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Abstract

RbCu2I3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.75–4.12 Å. Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are two shorter (2.63 Å) and two longer (2.73 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEcrystal structureCu-I-RbRbCu2I3

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2020-07-17. Materials Data on RbCu2I3 by Materials Project. https://doi.org/10.17188/1654644

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