K2MgV2(CuS2)4 crystallizes in the monoclinic Pm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(6), two equivalent S(3), two equivalent S(4), and four equivalent S(2) atoms. Mg(1) is bonded in a 3-coordinate geometry to one S(5) 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(3), one S(5), and two equivalent S(2) atoms. In the second V site, V(2) is bonded to one S(4), one S(6), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(3)S4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(5), and one S(6) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(3), one S(5), and two equivalent S(2) atoms. In the third Cu site, Cu(3) is bonded to one S(4), one S(6), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), one Mg(1), one V(2), one Cu(1), and one Cu(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent K(2), one V(1), one Cu(1), and one Cu(2) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent K(2), one V(1), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one V(2), and one Cu(3) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Mg(1), one V(1), one Cu(2), and two equivalent Cu(1) atoms. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one K(2), one V(2), one Cu(3), and two equivalent Cu(1) atoms.
K2MgV2(CuS2)4 crystallizes in the monoclinic Pm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Both K(1)-S(1) bond lengths are 3.38 Å. There is one shorter (3.26 Å) and one longer (3.29 Å) K(1)-S(3) bond length. Both K(1)-S(4) bond lengths are 3.76 Å. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(6), two equivalent S(3), two equivalent S(4), and four equivalent S(2) atoms. The K(2)-S(6) bond length is 3.60 Å. Both K(2)-S(3) bond lengths are 3.78 Å. There is one shorter (3.36 Å) and one longer (3.63 Å) K(2)-S(4) bond length. There are two shorter (3.60 Å) and two longer (3.75 Å) K(2)-S(2) bond lengths. Mg(1) is bonded in a 3-coordinate geometry to one S(5) and two equivalent S(1) atoms. The Mg(1)-S(5) bond length is 2.47 Å. Both Mg(1)-S(1) bond lengths are 2.52 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one S(3), one S(5), and two equivalent S(2) atoms. The V(1)-S(3) bond length is 2.20 Å. The V(1)-S(5) bond length is 2.30 Å. Both V(1)-S(2) bond lengths are 2.24 Å. In the second V site, V(2) is bonded to one S(4), one S(6), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(3)S4 tetrahedra. The V(2)-S(4) bond length is 2.18 Å. The V(2)-S(6) bond length is 2.27 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 4-coordinate geometry to one S(1), one S(2), one S(5), and one S(6) atom. The Cu(1)-S(1) bond length is 2.39 Å. The Cu(1)-S(2) bond length is 2.31 Å. The Cu(1)-S(5) bond length is 2.34 Å. The Cu(1)-S(6) bond length is 2.27 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(3), one S(5), and two equivalent S(2) atoms. The Cu(2)-S(3) bond length is 2.25 Å. The Cu(2)-S(5) bond length is 2.50 Å. Both Cu(2)-S(2) bond lengths are 2.32 Å. In the third Cu site, Cu(3) is bonded to one S(4), 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(3)-S(4) bond length is 2.31 Å. The Cu(3)-S(6) bond length is 2.33 Å. Both Cu(3)-S(1) bond lengths are 2.34 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), one Mg(1), one V(2), one Cu(1), and one Cu(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent K(2), one V(1), one Cu(1), and one Cu(2) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent K(2), one V(1), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one V(2), and one Cu(3) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Mg(1), one V(1), one Cu(2), and two equivalent Cu(1) atoms. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one K(2), one V(2), one Cu(3), and two equivalent Cu(1) atoms.