CuPb2(SCl)2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to two equivalent S(1) and four equivalent Cl(1) atoms to form CuS2Cl4 octahedra that share corners with four equivalent Cu(1)S2Cl4 octahedra and corners with ten equivalent Pb(1)S5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to five equivalent S(1) atoms to form distorted PbS5 square pyramids that share corners with five equivalent Cu(1)S2Cl4 octahedra, corners with four equivalent Pb(1)S5 square pyramids, and edges with eight equivalent Pb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 0-92°. S(1) is bonded to one Cu(1) and five equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing SCuPb5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Cl(1) is bonded in a linear geometry to two equivalent Cu(1) atoms.
CuPb2(SCl)2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to two equivalent S(1) and four equivalent Cl(1) atoms to form CuS2Cl4 octahedra that share corners with four equivalent Cu(1)S2Cl4 octahedra and corners with ten equivalent Pb(1)S5 square pyramids. The corner-sharing octahedra are not tilted. Both Cu(1)-S(1) bond lengths are 2.73 Å. All Cu(1)-Cl(1) bond lengths are 2.25 Å. Pb(1) is bonded to five equivalent S(1) atoms to form distorted PbS5 square pyramids that share corners with five equivalent Cu(1)S2Cl4 octahedra, corners with four equivalent Pb(1)S5 square pyramids, and edges with eight equivalent Pb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 0-92°. There is one shorter (2.72 Å) and four longer (3.18 Å) Pb(1)-S(1) bond lengths. S(1) is bonded to one Cu(1) and five equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing SCuPb5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Cl(1) is bonded in a linear geometry to two equivalent Cu(1) atoms.