Materials Data on CoCu2SiS4 by Materials Project

Abstract

Cu2CoSiS4 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 SiS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.29 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 SiS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Si–S bond lengths are 2.18 Å. S2- is bonded to one Co2+, two equivalent Cu1+, and one Si4+ atom to form corner-sharing SCoCu2Si tetrahedra.