Materials Data on AgCS2(O2F)3 by Materials Project

Ag(SO3)2CF3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four fluoroform molecules and two Ag(SO3)2 sheets oriented in the (0, 1, 0) direction. In each Ag(SO3)2 sheet, Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.48–3.20 Å. There are two inequivalent S5+ sites. In the first S5+ site, S5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.57 Å. In the second S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.82 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one S5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one S5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag1+ and two S5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Ag1+ and one S5+ atom.