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DOE OSTI · 1273972

Materials Data on RbCu2Br3 by Materials Project

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Abstract

RbCu2Br3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–3.79 Å. Cu1+ is bonded to four Br1- atoms to form a mixture of corner and edge-sharing CuBr4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.59 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 Rb1+ and four equivalent Cu1+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEBr-Cu-Rbcrystal structureRbCu2Br3

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2020-07-17. Materials Data on RbCu2Br3 by Materials Project. https://doi.org/10.17188/1273972

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36 MATERIALS SCIENCE↗