Materials Data on RbC2S2NO5F6 by Materials Project

Abstract

(RbS2O5)2N2(CF3)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of eight ammonia molecules, sixteen fluoroform molecules, and one RbS2O5 framework. In the RbS2O5 framework, Rb1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.53 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one S2+ atom.