Sr2Cu(SCl)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent Cl(1) atoms. Cu(1) is bonded to two equivalent S(1) and four equivalent Cl(1) atoms to form corner-sharing CuS2Cl4 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to five equivalent Sr(1) and one Cu(1) atom to form SSr5Cu octahedra that share corners with five equivalent S(1)Sr5Cu octahedra, corners with twelve equivalent Cl(1)Sr4Cu2 octahedra, edges with eight equivalent S(1)Sr5Cu octahedra, and faces with four equivalent Cl(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. Cl(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted ClSr4Cu2 octahedra that share corners with two equivalent Cl(1)Sr4Cu2 octahedra, corners with twelve equivalent S(1)Sr5Cu octahedra, edges with two equivalent Cl(1)Sr4Cu2 octahedra, faces with four equivalent S(1)Sr5Cu octahedra, and faces with four equivalent Cl(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°.
Sr2Cu(SCl)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent Cl(1) atoms. There is one shorter (2.87 Å) and four longer (3.35 Å) Sr(1)-S(1) bond lengths. All Sr(1)-Cl(1) bond lengths are 3.23 Å. Cu(1) is bonded to two equivalent S(1) and four equivalent Cl(1) atoms to form corner-sharing CuS2Cl4 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-S(1) bond lengths are 2.40 Å. All Cu(1)-Cl(1) bond lengths are 2.36 Å. S(1) is bonded to five equivalent Sr(1) and one Cu(1) atom to form SSr5Cu octahedra that share corners with five equivalent S(1)Sr5Cu octahedra, corners with twelve equivalent Cl(1)Sr4Cu2 octahedra, edges with eight equivalent S(1)Sr5Cu octahedra, and faces with four equivalent Cl(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. Cl(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted ClSr4Cu2 octahedra that share corners with two equivalent Cl(1)Sr4Cu2 octahedra, corners with twelve equivalent S(1)Sr5Cu octahedra, edges with two equivalent Cl(1)Sr4Cu2 octahedra, faces with four equivalent S(1)Sr5Cu octahedra, and faces with four equivalent Cl(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°.