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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb3CO3F by Materials Project

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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbCOF3 by Materials Project

RbCOF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to three equivalent O2- and seven F1- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.01 Å. There are a spread of Rb–F bond distances ranging from 2.95–3.27 Å. C4+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The C–O bond length is 1.23 Å. There are a spread of C–F bond distances ranging from 1.43–1.47 Å. O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one C4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one C4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one C4+ atom.

36 MATERIALS SCIENCE↗