Cs2MgCe2(CuS3)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent S(1), and two equivalent S(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(2) atoms. Mg(1) is bonded in a 8-coordinate geometry to one Cs(1), two equivalent Cu(2), one S(1), and four equivalent S(4) atoms. Ce(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted CeS6 octahedra that share corners with two equivalent Ce(1)S6 octahedra, edges with two equivalent Ce(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-42°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Ce(1)S6 octahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Ce(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), two equivalent Ce(1), and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Cs(2), two equivalent Ce(1), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Ce(1), and one Cu(2) atom.
Cs2MgCe2(CuS3)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent S(1), and two equivalent S(2) atoms. The Cs(1)-Mg(1) bond length is 3.25 Å. Both Cs(1)-S(1) bond lengths are 3.22 Å. Both Cs(1)-S(2) bond lengths are 3.76 Å. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(2) atoms. There is one shorter (3.79 Å) and one longer (3.83 Å) Cs(2)-S(3) bond length. There are two shorter (3.70 Å) and two longer (3.73 Å) Cs(2)-S(2) bond lengths. Mg(1) is bonded in a 8-coordinate geometry to one Cs(1), two equivalent Cu(2), one S(1), and four equivalent S(4) atoms. Both Mg(1)-Cu(2) bond lengths are 2.59 Å. The Mg(1)-S(1) bond length is 2.68 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Mg(1)-S(4) bond lengths. Ce(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted CeS6 octahedra that share corners with two equivalent Ce(1)S6 octahedra, edges with two equivalent Ce(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-42°. The Ce(1)-S(1) bond length is 2.94 Å. The Ce(1)-S(3) bond length is 2.73 Å. Both Ce(1)-S(2) bond lengths are 2.76 Å. There is one shorter (3.04 Å) and one longer (3.05 Å) Ce(1)-S(4) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Ce(1)S6 octahedra. Both Cu(1)-S(2) bond lengths are 2.34 Å. There is one shorter (2.48 Å) and one longer (2.49 Å) Cu(1)-S(3) bond length. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(4) atoms. Both Cu(2)-S(1) bond lengths are 2.28 Å. Both Cu(2)-S(4) bond lengths are 2.44 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Ce(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), two equivalent Ce(1), and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Cs(2), two equivalent Ce(1), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Ce(1), and one Cu(2) atom.