Materials Data on SbCl4F by Materials Project

Abstract

SbCl4F crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two SbCl4F clusters. Sb5+ is bonded to four Cl1- and two equivalent F1- atoms to form corner-sharing SbCl4F2 octahedra. The corner-sharing octahedral tilt angles are 10°. There are three shorter (2.33 Å) and one longer (2.34 Å) Sb–Cl bond lengths. There are one shorter (2.14 Å) and one longer (2.15 Å) Sb–F bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom. F1- is bonded in a linear geometry to two equivalent Sb5+ atoms.