Materials Data on S4N2O3F by Materials Project

Abstract

N2(S)3SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, twelve hydrogen sulfide molecules, and four SO3F clusters. In each SO3F cluster, S+0.25+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.47 Å) S–O bond length. The S–F bond length is 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+0.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+0.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+0.25+ atom. F1- is bonded in a single-bond geometry to one S+0.25+ atom.