ScCu3ZnSe4 crystallizes in the cubic P-43m space group. Sc(1) is bonded to six equivalent Cu(1) and four equivalent Se(1) atoms to form distorted ScCu6Se4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra, corners with six equivalent Sc(1)Cu6Se4 tetrahedra, and edges with six equivalent Cu(1)Sc2Se4 tetrahedra. Cu(1) is bonded to two equivalent Sc(1) and four equivalent Se(1) atoms to form distorted CuSc2Se4 tetrahedra that share corners with two equivalent Cu(1)Sc2Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, edges with two equivalent Sc(1)Cu6Se4 tetrahedra, and edges with eight equivalent Cu(1)Sc2Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Sc(1)Cu6Se4 tetrahedra and corners with twelve equivalent Cu(1)Sc2Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to one Sc(1), three equivalent Cu(1), and one Zn(1) atom.
ScCu3ZnSe4 crystallizes in the cubic P-43m space group. Sc(1) is bonded to six equivalent Cu(1) and four equivalent Se(1) atoms to form distorted ScCu6Se4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra, corners with six equivalent Sc(1)Cu6Se4 tetrahedra, and edges with six equivalent Cu(1)Sc2Se4 tetrahedra. All Sc(1)-Cu(1) bond lengths are 2.89 Å. All Sc(1)-Se(1) bond lengths are 2.53 Å. Cu(1) is bonded to two equivalent Sc(1) and four equivalent Se(1) atoms to form distorted CuSc2Se4 tetrahedra that share corners with two equivalent Cu(1)Sc2Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, edges with two equivalent Sc(1)Cu6Se4 tetrahedra, and edges with eight equivalent Cu(1)Sc2Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.51 Å. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Sc(1)Cu6Se4 tetrahedra and corners with twelve equivalent Cu(1)Sc2Se4 tetrahedra. All Zn(1)-Se(1) bond lengths are 2.47 Å. Se(1) is bonded in a distorted pentagonal planar geometry to one Sc(1), three equivalent Cu(1), and one Zn(1) atom.