Materials Data on Rb2Sb2OF10 by Materials Project

Abstract

Rb2Sb2OF10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to one O2- and nine F1- atoms. The Rb–O bond length is 3.41 Å. There are a spread of Rb–F bond distances ranging from 2.91–3.38 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 2.89–3.25 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 48°. The Sb–O bond length is 1.95 Å. There is two shorter (1.93 Å) and three longer (1.94 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 48°. The Sb–O bond length is 1.96 Å. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Sb5+ atoms. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Sb5+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Sb5+ atom.