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DOE OSTI · 1205328

Materials Data on RbAuBr4 by Materials Project

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Abstract

RbAuBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.67–3.87 Å. Au3+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.47 Å) and two longer (2.48 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing BrRb3Au tetrahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one Au3+ atom.

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36 MATERIALS SCIENCEAu-Br-Rbcrystal structureRbAuBr4

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2020-07-18. Materials Data on RbAuBr4 by Materials Project. https://doi.org/10.17188/1205328

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