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DOE OSTI · 1202441

Materials Data on Rb4CdBr6 by Materials Project

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Abstract

Rb4CdBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.77 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.42 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Cd–Br bond lengths are 2.85 Å. Br1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

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36 MATERIALS SCIENCEBr-Cd-Rbcrystal structureRb4CdBr6

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2020-05-09. Materials Data on Rb4CdBr6 by Materials Project. https://doi.org/10.17188/1202441

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