Materials Data on Ag6GeSO8 by Materials Project

Abstract

Ag6GeSO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.21 Å) and two longer (2.60 Å) Ag–O bond lengths. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.45 Å) and two longer (2.60 Å) Ag–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.79 Å. S2- is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag+2.33+ and one S2- atom. In the second O2- site, O2- is bonded to three Ag+2.33+ and one Ge4+ atom to form corner-sharing OAg3Ge tetrahedra.