Materials Data on Zn2InCuS4 by Materials Project

Abstract

CuZn2InS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent ZnS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and corners with four equivalent InS4 tetrahedra. All Zn–S bond lengths are 2.37 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent ZnS4 tetrahedra. All In–S bond lengths are 2.50 Å. S2- is bonded to one Cu1+, two equivalent Zn2+, and one In3+ atom to form corner-sharing SZn2InCu tetrahedra.