Materials Data on SiH2CS(OF)3 by Materials Project

Abstract

SiH2SO3CF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four SiH2SO3 clusters. In each SiH2SO3 cluster, Si4+ is bonded in a trigonal non-coplanar geometry to two H1+ and one O2- atom. Both Si–H bond lengths are 1.48 Å. The Si–O bond length is 1.76 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Si4+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Si4+ atom. S1- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Si4+ and one S1- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S1- atom.