Materials Data on SbOF by Materials Project

Abstract

SbOF crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two SbOF sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two equivalent O2- and one F1- atom. There are one shorter (1.97 Å) and one longer (2.03 Å) Sb–O bond lengths. The Sb–F bond length is 2.01 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. There is one shorter (1.98 Å) and one longer (2.00 Å) Sb–O bond length. There are one shorter (2.01 Å) and one longer (2.67 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 Sb3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sb3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Sb3+ atoms.