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Materials Data on Rb3SbF6 by Materials Project

Rb3SbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.00 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are four shorter (2.86 Å) and two longer (3.09 Å) Rb–F bond lengths. In the third Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are two shorter (2.86 Å) and four longer (2.96 Å) Rb–F bond lengths. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.21 Å) and two longer (2.22 Å) Sb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Rb1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Rb1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Rb3SbF6 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 Rb3SbF6 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↗