Cu3ZnGaSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Ga(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to three equivalent Cu(1), one Zn(1), and one Ga(1) atom.
Cu3ZnGaSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Ga(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.50 Å. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Zn(1)-Se(1) bond lengths are 2.48 Å. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Ga(1)-Se(1) bond lengths are 2.51 Å. Se(1) is bonded in a distorted pentagonal planar geometry to three equivalent Cu(1), one Zn(1), and one Ga(1) atom.