Materials Data on ZnGaAsSe by Materials Project

Abstract

GaZnSeAs is Stannite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Zn2+ is bonded to one As3- and three equivalent Se2- atoms to form ZnAsSe3 tetrahedra that share corners with six equivalent ZnAsSe3 tetrahedra and corners with six equivalent GaAs3Se tetrahedra. The Zn–As bond length is 2.46 Å. All Zn–Se bond lengths are 2.50 Å. Ga3+ is bonded to three equivalent As3- and one Se2- atom to form GaAs3Se tetrahedra that share corners with six equivalent ZnAsSe3 tetrahedra and corners with six equivalent GaAs3Se tetrahedra. All Ga–As bond lengths are 2.47 Å. The Ga–Se bond length is 2.51 Å. As3- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form AsZnGa3 tetrahedra that share corners with six equivalent AsZnGa3 tetrahedra and corners with six equivalent SeZn3Ga tetrahedra. Se2- is bonded to three equivalent Zn2+ and one Ga3+ atom to form SeZn3Ga tetrahedra that share corners with six equivalent AsZnGa3 tetrahedra and corners with six equivalent SeZn3Ga tetrahedra.