Materials Data on Sb2OF8 by Materials Project

Abstract

Sb2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Sb2OF8 ribbons oriented in the (1, 0, 0) direction. 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 44°. The Sb–O bond length is 1.99 Å. There is four shorter (1.89 Å) and one longer (2.10 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form a mixture of distorted corner and face-sharing SbOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. The Sb–O bond length is 1.84 Å. There are a spread of Sb–F bond distances ranging from 1.87–2.11 Å. O2- is bonded in a linear geometry to two Sb5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms.