Materials Data on CoCu2SnS4 by Materials Project

Abstract

Cu2CoSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.26 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.49 Å. S2- is bonded to one Co2+, two equivalent Cu1+, and one Sn4+ atom to form corner-sharing SCoCu2Sn tetrahedra.