Materials Data on H5CSO5F3 by Materials Project

Abstract

(CF3)2(H2O)4(HSO2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four fluoroform molecules; two hydrogen peroxide molecules; eight water molecules; and two HSO2 ribbons oriented in the (1, 0, 0) direction. In each HSO2 ribbon, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. S4+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.49 Å) and one longer (1.61 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one H1+ and one S4+ atom.