Materials Data on FeAg2SnS4 by Materials Project

Abstract

FeAg2SnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent AgS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Ag–S bond lengths are 2.56 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Sn–S bond lengths are 2.50 Å. S2- is bonded to one Fe2+, two equivalent Ag1+, and one Sn4+ atom to form corner-sharing SFeAg2Sn tetrahedra.