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DOE OSTI · 1199093

Materials Data on Rb4CdCl6 by Materials Project

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Abstract

Rb4CdCl6 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 6-coordinate geometry to six equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.25 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.55 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.70 Å. Cl1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

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36 MATERIALS SCIENCECd-Cl-Rbcrystal structureRb4CdCl6

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2020-05-09. Materials Data on Rb4CdCl6 by Materials Project. https://doi.org/10.17188/1199093

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