ZnGaPSe is Stannite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1) and three equivalent Se(1) atoms to form ZnPSe3 tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. Ga(1) is bonded to three equivalent P(1) and one Se(1) atom to form GaP3Se tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. P(1) is bonded to one Zn(1) and three equivalent Ga(1) atoms to form PZnGa3 tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra. Se(1) is bonded to three equivalent Zn(1) and one Ga(1) atom to form SeZn3Ga tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra.
ZnGaPSe is Stannite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1) and three equivalent Se(1) atoms to form ZnPSe3 tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. The Zn(1)-P(1) bond length is 2.36 Å. All Zn(1)-Se(1) bond lengths are 2.48 Å. Ga(1) is bonded to three equivalent P(1) and one Se(1) atom to form GaP3Se tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. All Ga(1)-P(1) bond lengths are 2.39 Å. The Ga(1)-Se(1) bond length is 2.51 Å. P(1) is bonded to one Zn(1) and three equivalent Ga(1) atoms to form PZnGa3 tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra. Se(1) is bonded to three equivalent Zn(1) and one Ga(1) atom to form SeZn3Ga tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra.