DOE OSTI2020
RbSnF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.91–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.37 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.01 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.80–3.40 Å. There are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.06–2.52 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.08–2.55 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.11–2.29 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.29 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Rb1+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+ and two Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted tetrahedral geometry to two Rb1+ and two Sn2+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two Rb1+ and two Sn2+ atoms. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to four Rb1+ and one Sn2+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one Sn2+ atom. In the seventh F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two Rb1+ and two Sn2+ atoms. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to four Rb1+ and one Sn2+ atom. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one Sn2+ atom. In the tenth F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one Sn2+ atom. In the eleventh F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Sn2+ atom. In the twelfth F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one Sn2+ atom.