Materials Data on ZnAg2GeS4 by Materials Project

Abstract

Ag2ZnGeS4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. All Ag–S bond lengths are 2.60 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. All Ag–S bond lengths are 2.55 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight AgS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with eight AgS4 tetrahedra. All Ge–S bond lengths are 2.25 Å. S2- is bonded to two Ag1+, one Zn2+, and one Ge4+ atom to form corner-sharing SZnAg2Ge tetrahedra.