BaGdCuS3 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Gd(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form GdS6 octahedra that share corners with two equivalent Gd(1)S6 octahedra, edges with two equivalent Gd(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Gd(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Gd(1), and one Cu(1) atom. In the second S site, S(2) is bonded to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SBa2Gd2Cu2 octahedra. The corner-sharing octahedra are not tilted.
BaGdCuS3 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both Ba(1)-S(2) bond lengths are 3.15 Å. There are four shorter (3.25 Å) and two longer (3.61 Å) Ba(1)-S(1) bond lengths. Gd(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form GdS6 octahedra that share corners with two equivalent Gd(1)S6 octahedra, edges with two equivalent Gd(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. Both Gd(1)-S(2) bond lengths are 2.75 Å. All Gd(1)-S(1) bond lengths are 2.79 Å. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Gd(1)S6 octahedra. Both Cu(1)-S(1) bond lengths are 2.33 Å. Both Cu(1)-S(2) bond lengths are 2.44 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Gd(1), and one Cu(1) atom. In the second S site, S(2) is bonded to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SBa2Gd2Cu2 octahedra. The corner-sharing octahedra are not tilted.