Ba2Cu2ThS5 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent S(3), three equivalent S(1), and three equivalent S(2) atoms. Th(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ThS6 octahedra that share edges with two equivalent Th(1)S6 octahedra and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with three equivalent Cu(1)S4 tetrahedra and edges with two equivalent Th(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one Th(1), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Th(1), and one Cu(1) atom. In the third S site, S(3) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form edge-sharing SBa4Cu2 octahedra.
Ba2Cu2ThS5 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent S(3), three equivalent S(1), and three equivalent S(2) atoms. Both Ba(1)-S(3) bond lengths are 3.10 Å. There are two shorter (3.22 Å) and one longer (3.44 Å) Ba(1)-S(1) bond length. There are two shorter (3.45 Å) and one longer (3.48 Å) Ba(1)-S(2) bond length. Th(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ThS6 octahedra that share edges with two equivalent Th(1)S6 octahedra and edges with four equivalent Cu(1)S4 tetrahedra. Both Th(1)-S(1) bond lengths are 2.76 Å. All Th(1)-S(2) bond lengths are 2.82 Å. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with three equivalent Cu(1)S4 tetrahedra and edges with two equivalent Th(1)S6 octahedra. The Cu(1)-S(2) bond length is 2.38 Å. The Cu(1)-S(3) bond length is 2.33 Å. Both Cu(1)-S(1) bond lengths are 2.40 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one Th(1), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Th(1), and one Cu(1) atom. In the third S site, S(3) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form edge-sharing SBa4Cu2 octahedra.