Ba2Cu(SCl)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent Cl(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing SBa4Cu2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms.
Ba2Cu(SCl)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent Cl(1) atoms. All Ba(1)-S(1) bond lengths are 3.19 Å. There is one shorter (3.23 Å) and four longer (3.45 Å) Ba(1)-Cl(1) bond lengths. Cu(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. All Cu(1)-S(1) bond lengths are 2.33 Å. S(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing SBa4Cu2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms.