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Materials Data on RbRuF6 by Materials Project

RbRuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent RuF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent RuF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.04 Å) and six longer (3.19 Å) Rb–F bond lengths. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All Ru–F bond lengths are 1.90 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Ru5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Rb3RuF6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on Rb3RuF6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗