Materials Data on Ag2S2O7 by Materials Project

Abstract

Ag2S2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.54–2.98 Å. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six SO4 tetrahedra and an edgeedge with one AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.46–2.61 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent AgO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of S–O bond distances ranging from 1.45–1.65 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent AgO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of S–O bond distances ranging from 1.46–1.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one S6+ atom.