Cu3SbS4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Sb(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Sb(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Sb(1) is bonded to four equivalent S(1) atoms to form SbS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra.
Cu3SbS4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Sb(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.29 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Sb(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. All Cu(2)-S(1) bond lengths are 2.29 Å. Sb(1) is bonded to four equivalent S(1) atoms to form SbS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. All Sb(1)-S(1) bond lengths are 2.44 Å. S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra.