Materials Data on Rb3BiF6 by Materials Project

Rb3BiF6 is Ilmenite-like structured and 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 2.84–3.09 Å. In the second 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 2.88–3.08 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are four shorter (2.91 Å) and two longer (3.02 Å) Rb–F bond lengths. Bi3+ is bonded in an octahedral geometry to six F1- atoms. All Bi–F bond lengths are 2.28 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Rb1+ and one Bi3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Rb1+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Rb1+ and one Bi3+ atom.