CuBiS2 is Chalcostibite structured and crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing CuS4 tetrahedra. Bi(1) is bonded in a 3-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1) and two equivalent Bi(1) atoms to form corner-sharing SCu2Bi2 tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Cu(1) and three equivalent Bi(1) atoms.
CuBiS2 is Chalcostibite structured and crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing CuS4 tetrahedra. There is one shorter (2.28 Å) and one longer (2.29 Å) Cu(1)-S(1) bond length. Both Cu(1)-S(2) bond lengths are 2.33 Å. Bi(1) is bonded in a 3-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. Both Bi(1)-S(1) bond lengths are 2.68 Å. There is one shorter (2.58 Å) and two longer (3.14 Å) Bi(1)-S(2) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1) and two equivalent Bi(1) atoms to form corner-sharing SCu2Bi2 tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Cu(1) and three equivalent Bi(1) atoms.