Materials Data on ZnAg2SnSe4 by Materials Project

Abstract

Ag2ZnSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Ag–Se bond lengths are 2.66 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Zn–Se bond lengths are 2.53 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Ag1+, one Zn2+, and one Sn4+ atom to form corner-sharing SeZnAg2Sn tetrahedra.