Materials Data on SbI(ClF3)2 by Materials Project

Abstract

SbI(ClF3)2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two SbI(ClF3)2 sheets oriented in the (0, 1, 0) direction. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.96 Å. I5+ is bonded in a rectangular see-saw-like geometry to two equivalent Cl1- and two equivalent F1- atoms. Both I–Cl bond lengths are 2.30 Å. Both I–F bond lengths are 2.62 Å. Cl1- is bonded in a 2-coordinate geometry to one I5+ and one F1- atom. The Cl–F bond length is 2.95 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and two equivalent Cl1- atoms.