Cu3ZnInSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted 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 In(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form distorted InSe4 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 5-coordinate geometry to three equivalent Cu(1), one Zn(1), and one In(1) atom.
Cu3ZnInSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted 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 In(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.56 Å. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Zn(1)-Se(1) bond lengths are 2.46 Å. In(1) is bonded to four equivalent Se(1) atoms to form distorted InSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All In(1)-Se(1) bond lengths are 2.61 Å. Se(1) is bonded in a 5-coordinate geometry to three equivalent Cu(1), one Zn(1), and one In(1) atom.