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DOE OSTI · 1312706

Materials Data on Rb3CO3F by Materials Project

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Abstract

Rb3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted corner, edge, and face-sharing RbO5F2 pentagonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.93–3.32 Å. Both Rb–F bond lengths are 2.79 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Rb1+ and one C4+ atom. F1- is bonded to six equivalent Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedral tilt angles are 26°.

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36 MATERIALS SCIENCEC-F-O-Rbcrystal structureRb3CO3F

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2020-07-18. Materials Data on Rb3CO3F by Materials Project. https://doi.org/10.17188/1312706

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36 MATERIALS SCIENCE↗