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DOE OSTI · 1203950

Materials Data on Rb6Cl4O by Materials Project

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Abstract

Rb6OCl4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded to one O2- and five Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing RbCl5O octahedra. The corner-sharing octahedra tilt angles range from 0–63°. The Rb–O bond length is 2.72 Å. There are a spread of Rb–Cl bond distances ranging from 3.29–3.61 Å. O2- is bonded in an octahedral geometry to six equivalent Rb1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Rb1+ atoms. In the second Cl1- site, Cl1- is bonded in a 8-coordinate geometry to eight equivalent Rb1+ atoms.

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36 MATERIALS SCIENCECl-O-Rbcrystal structureRb6Cl4O

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2020-07-20. Materials Data on Rb6Cl4O by Materials Project. https://doi.org/10.17188/1203950

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36 MATERIALS SCIENCE↗