Materials Data on Zn2GaCuTe4 by Materials Project

Abstract

CuZn2GaTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent ZnTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent ZnTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Zn–Te bond lengths are 2.67 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight equivalent ZnTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded to one Cu1+, two equivalent Zn2+, and one Ga3+ atom to form corner-sharing TeZn2GaCu tetrahedra.