Materials Data on SbO2F by Materials Project

Abstract

SbO2F crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Sb5+ is bonded to four O2- and two equivalent F1- atoms to form corner-sharing SbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There is two shorter (1.94 Å) and two longer (1.95 Å) Sb–O bond length. There are one shorter (2.11 Å) and one longer (2.16 Å) Sb–F bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms.