Cu3SbS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two 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 one S(2), one S(3), and two 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 one S(2), one S(3), and two 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. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra. In the second S site, S(2) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra. In the third S site, S(3) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra.
Cu3SbS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two 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. The Cu(1)-S(2) bond length is 2.28 Å. The Cu(1)-S(3) bond length is 2.28 Å. There is one shorter (2.28 Å) and one longer (2.30 Å) Cu(1)-S(1) bond length. In the second Cu site, Cu(2) is bonded to one S(2), one S(3), and two 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. The Cu(2)-S(2) bond length is 2.29 Å. The Cu(2)-S(3) bond length is 2.28 Å. Both Cu(2)-S(1) bond lengths are 2.29 Å. Sb(1) is bonded to one S(2), one S(3), and two 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. The Sb(1)-S(2) bond length is 2.45 Å. The Sb(1)-S(3) bond length is 2.44 Å. Both Sb(1)-S(1) bond lengths are 2.45 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra. In the second S site, S(2) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra. In the third S site, S(3) is bonded to one Cu(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SCu3Sb tetrahedra.