Cu11Zn4(SnSe4)5 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(5) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with three equivalent Cu(4)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(4) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(4)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. In the third Cu site, Cu(3) 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 Sn(1)Se4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to four equivalent Se(3) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(4)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Zn(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(5) atom to form ZnSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Cu(4)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded to four equivalent Se(2) atoms to form SnSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(4)Se4 tetrahedra, and corners with four equivalent Zn(1)Se4 tetrahedra. In the second Sn site, Sn(1) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form SnSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Cu(4)Se4 tetrahedra, and corners with three equivalent Zn(1)Se4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(3), one Zn(1), and one Sn(1) atom to form SeZnCu2Sn tetrahedra that share corners with two equivalent Se(3)Cu3Sn tetrahedra, corners with two equivalent Se(2)ZnCu2Sn tetrahedra, corners with two equivalent Se(4)ZnCu2Sn tetrahedra, corners with three equivalent Se(1)ZnCu2Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(4), one Zn(1), and one Sn(2) atom to form SeZnCu2Sn tetrahedra that share corners with two equivalent Se(3)Cu3Sn tetrahedra, corners with two equivalent Se(1)ZnCu2Sn tetrahedra, corners with two equivalent Se(4)ZnCu2Sn tetrahedra, corners with three equivalent Se(2)ZnCu2Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(4), one Cu(5), and one Sn(1) atom to form SeCu3Sn tetrahedra that share corners with two equivalent Se(1)ZnCu2Sn tetrahedra, corners with two equivalent Se(2)ZnCu2Sn tetrahedra, corners with two equivalent Se(4)ZnCu2Sn tetrahedra, corners with three equivalent Se(3)Cu3Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(2), one Cu(4), one Zn(1), and one Sn(1) atom to form SeZnCu2Sn tetrahedra that share corners with two equivalent Se(3)Cu3Sn tetrahedra, corners with two equivalent Se(1)ZnCu2Sn tetrahedra, corners with two equivalent Se(2)ZnCu2Sn tetrahedra, corners with three equivalent Se(4)ZnCu2Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the fifth Se site, Se(5) is bonded to one Cu(1), one Cu(4), one Zn(1), and one Sn(1) atom to form SeZnCu2Sn tetrahedra that share corners with three equivalent Se(3)Cu3Sn tetrahedra, corners with three equivalent Se(1)ZnCu2Sn tetrahedra, corners with three equivalent Se(2)ZnCu2Sn tetrahedra, and corners with three equivalent Se(4)ZnCu2Sn tetrahedra.
Cu11Zn4(SnSe4)5 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(5) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with three equivalent Cu(4)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. The Cu(1)-Se(1) bond length is 2.43 Å. The Cu(1)-Se(2) bond length is 2.44 Å. The Cu(1)-Se(3) bond length is 2.43 Å. The Cu(1)-Se(5) bond length is 2.43 Å. In the second Cu site, Cu(2) is bonded to four equivalent Se(4) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(4)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. All Cu(2)-Se(4) bond lengths are 2.43 Å. In the third Cu site, Cu(3) 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 Sn(1)Se4 tetrahedra. All Cu(3)-Se(1) bond lengths are 2.43 Å. In the fourth Cu site, Cu(4) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. The Cu(4)-Se(2) bond length is 2.44 Å. The Cu(4)-Se(3) bond length is 2.43 Å. The Cu(4)-Se(4) bond length is 2.43 Å. The Cu(4)-Se(5) bond length is 2.43 Å. In the fifth Cu site, Cu(5) is bonded to four equivalent Se(3) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(4)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. All Cu(5)-Se(3) bond lengths are 2.46 Å. Zn(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(5) atom to form ZnSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Cu(4)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. The Zn(1)-Se(1) bond length is 2.50 Å. The Zn(1)-Se(2) bond length is 2.51 Å. The Zn(1)-Se(4) bond length is 2.51 Å. The Zn(1)-Se(5) bond length is 2.51 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded to four equivalent Se(2) atoms to form SnSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(4)Se4 tetrahedra, and corners with four equivalent Zn(1)Se4 tetrahedra. All Sn(2)-Se(2) bond lengths are 2.63 Å. In the second Sn site, Sn(1) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form SnSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Cu(4)Se4 tetrahedra, and corners with three equivalent Zn(1)Se4 tetrahedra. The Sn(1)-Se(1) bond length is 2.64 Å. The Sn(1)-Se(3) bond length is 2.61 Å. The Sn(1)-Se(4) bond length is 2.64 Å. The Sn(1)-Se(5) bond length is 2.64 Å. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(3), one Zn(1), and one Sn(1) atom to form SeZnCu2Sn tetrahedra that share corners with two equivalent Se(3)Cu3Sn tetrahedra, corners with two equivalent Se(2)ZnCu2Sn tetrahedra, corners with two equivalent Se(4)ZnCu2Sn tetrahedra, corners with three equivalent Se(1)ZnCu2Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(4), one Zn(1), and one Sn(2) atom to form SeZnCu2Sn tetrahedra that share corners with two equivalent Se(3)Cu3Sn tetrahedra, corners with two equivalent Se(1)ZnCu2Sn tetrahedra, corners with two equivalent Se(4)ZnCu2Sn tetrahedra, corners with three equivalent Se(2)ZnCu2Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(4), one Cu(5), and one Sn(1) atom to form SeCu3Sn tetrahedra that share corners with two equivalent Se(1)ZnCu2Sn tetrahedra, corners with two equivalent Se(2)ZnCu2Sn tetrahedra, corners with two equivalent Se(4)ZnCu2Sn tetrahedra, corners with three equivalent Se(3)Cu3Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(2), one Cu(4), one Zn(1), and one Sn(1) atom to form SeZnCu2Sn tetrahedra that share corners with two equivalent Se(3)Cu3Sn tetrahedra, corners with two equivalent Se(1)ZnCu2Sn tetrahedra, corners with two equivalent Se(2)ZnCu2Sn tetrahedra, corners with three equivalent Se(4)ZnCu2Sn tetrahedra, and corners with three equivalent Se(5)ZnCu2Sn tetrahedra. In the fifth Se site, Se(5) is bonded to one Cu(1), one Cu(4), one Zn(1), and one Sn(1) atom to form SeZnCu2Sn tetrahedra that share corners with three equivalent Se(3)Cu3Sn tetrahedra, corners with three equivalent Se(1)ZnCu2Sn tetrahedra, corners with three equivalent Se(2)ZnCu2Sn tetrahedra, and corners with three equivalent Se(4)ZnCu2Sn tetrahedra.