Rb2MgV2(CuS2)4 crystallizes in the monoclinic Pm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(5), two equivalent S(6), and four equivalent S(4) atoms. Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one S(2), one S(5), and two equivalent S(4) atoms. In the second V site, V(2) is bonded to one S(3), one S(6), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded to one S(3), one S(6), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(2), one S(5), and two equivalent S(4) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Rb(1), one Mg(1), one V(2), one Cu(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one V(1), one Cu(3), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Rb(2), one V(2), one Cu(2), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Rb(2), one V(1), one Cu(1), and one Cu(3) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one V(1), and one Cu(3) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one V(2), and one Cu(2) atom.
Rb2MgV2(CuS2)4 crystallizes in the monoclinic Pm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. Both Rb(1)-S(1) bond lengths are 3.60 Å. There is one shorter (3.40 Å) and one longer (3.42 Å) Rb(1)-S(5) bond length. Both Rb(1)-S(6) bond lengths are 3.73 Å. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(5), two equivalent S(6), and four equivalent S(4) atoms. The Rb(2)-S(3) bond length is 3.72 Å. Both Rb(2)-S(5) bond lengths are 3.75 Å. There is one shorter (3.57 Å) and one longer (3.59 Å) Rb(2)-S(6) bond length. There are two shorter (3.68 Å) and two longer (3.77 Å) Rb(2)-S(4) bond lengths. Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1), one S(2), and two equivalent S(1) atoms. Both Mg(1)-Cu(1) bond lengths are 2.69 Å. The Mg(1)-S(2) bond length is 2.47 Å. Both Mg(1)-S(1) bond lengths are 2.54 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one S(2), one S(5), and two equivalent S(4) atoms. The V(1)-S(2) bond length is 2.31 Å. The V(1)-S(5) bond length is 2.20 Å. Both V(1)-S(4) bond lengths are 2.25 Å. In the second V site, V(2) is bonded to one S(3), one S(6), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. The V(2)-S(3) bond length is 2.27 Å. The V(2)-S(6) bond length is 2.18 Å. Both V(2)-S(1) bond lengths are 2.28 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. The Cu(1)-S(1) bond length is 2.40 Å. The Cu(1)-S(2) bond length is 2.34 Å. The Cu(1)-S(3) bond length is 2.26 Å. The Cu(1)-S(4) bond length is 2.31 Å. In the second Cu site, Cu(2) is bonded to one S(3), one S(6), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. The Cu(2)-S(3) bond length is 2.32 Å. The Cu(2)-S(6) bond length is 2.31 Å. Both Cu(2)-S(1) bond lengths are 2.35 Å. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(2), one S(5), and two equivalent S(4) atoms. The Cu(3)-S(2) bond length is 2.52 Å. The Cu(3)-S(5) bond length is 2.25 Å. Both Cu(3)-S(4) bond lengths are 2.33 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Rb(1), one Mg(1), one V(2), one Cu(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one V(1), one Cu(3), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Rb(2), one V(2), one Cu(2), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Rb(2), one V(1), one Cu(1), and one Cu(3) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one V(1), and one Cu(3) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one V(2), and one Cu(2) atom.