Cu2ZnSiSe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Si(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Si(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Si(1)Se4 tetrahedra. Si(1) is bonded to four equivalent Se(1) atoms to form SiSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Zn(1)Se4 tetrahedra. Se(1) is bonded to one Cu(1), one Cu(2), one Zn(1), and one Si(1) atom to form corner-sharing SeZnCu2Si tetrahedra.
Cu2ZnSiSe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Si(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.46 Å. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Si(1)Se4 tetrahedra. All Cu(2)-Se(1) bond lengths are 2.42 Å. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Si(1)Se4 tetrahedra. All Zn(1)-Se(1) bond lengths are 2.48 Å. Si(1) is bonded to four equivalent Se(1) atoms to form SiSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Zn(1)Se4 tetrahedra. All Si(1)-Se(1) bond lengths are 2.34 Å. Se(1) is bonded to one Cu(1), one Cu(2), one Zn(1), and one Si(1) atom to form corner-sharing SeZnCu2Si tetrahedra.