K4MgV2(CuS4)2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(6), two equivalent S(1), and two equivalent S(7) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one S(2), one S(3), one S(5), one S(8), and two equivalent S(4) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one S(1), one S(4), one S(5), one S(7), one S(8), and two equivalent S(6) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(2), and two equivalent S(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to one S(4), one S(5), one S(6), and one S(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. In the second V site, V(2) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form VS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one K(3), one K(4), two equivalent K(2), one Mg(1), one V(2), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), one Mg(1), one V(1), and one Cu(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(3), one Mg(1), one V(1), and one Cu(2) atom. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one K(2), one K(3), one K(4), one Mg(1), one V(2), and one Cu(1) atom.
K4MgV2(CuS4)2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(6), two equivalent S(1), and two equivalent S(7) atoms. The K(1)-S(2) bond length is 3.29 Å. The K(1)-S(3) bond length is 3.44 Å. The K(1)-S(6) bond length is 3.46 Å. There is one shorter (3.47 Å) and one longer (3.54 Å) K(1)-S(1) bond length. There is one shorter (3.36 Å) and one longer (3.44 Å) K(1)-S(7) bond length. In the second K site, K(2) is bonded in a 4-coordinate geometry to one S(2), one S(3), one S(5), one S(8), and two equivalent S(4) atoms. The K(2)-S(2) bond length is 3.12 Å. The K(2)-S(3) bond length is 3.13 Å. The K(2)-S(5) bond length is 3.51 Å. The K(2)-S(8) bond length is 3.20 Å. There is one shorter (3.22 Å) and one longer (3.47 Å) K(2)-S(4) bond length. In the third K site, K(3) is bonded in a 7-coordinate geometry to one S(1), one S(4), one S(5), one S(7), one S(8), and two equivalent S(6) atoms. The K(3)-S(1) bond length is 3.55 Å. The K(3)-S(4) bond length is 3.43 Å. The K(3)-S(5) bond length is 3.33 Å. The K(3)-S(7) bond length is 3.31 Å. The K(3)-S(8) bond length is 3.38 Å. There is one shorter (3.33 Å) and one longer (3.39 Å) K(3)-S(6) bond length. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(2), and two equivalent S(3) atoms. The K(4)-S(1) bond length is 3.23 Å. The K(4)-S(4) bond length is 3.57 Å. The K(4)-S(7) bond length is 3.53 Å. The K(4)-S(8) bond length is 3.59 Å. There is one shorter (3.53 Å) and one longer (3.57 Å) K(4)-S(2) bond length. There is one shorter (3.34 Å) and one longer (3.53 Å) K(4)-S(3) bond length. Mg(1) is bonded in a 4-coordinate geometry to one S(4), one S(5), one S(6), and one S(8) atom. The Mg(1)-S(4) bond length is 2.51 Å. The Mg(1)-S(5) bond length is 2.44 Å. The Mg(1)-S(6) bond length is 2.43 Å. The Mg(1)-S(8) bond length is 2.48 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. The V(1)-S(1) bond length is 2.19 Å. The V(1)-S(5) bond length is 2.28 Å. The V(1)-S(6) bond length is 2.27 Å. The V(1)-S(7) bond length is 2.19 Å. In the second V site, V(2) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form VS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra. The V(2)-S(2) bond length is 2.19 Å. The V(2)-S(3) bond length is 2.19 Å. The V(2)-S(4) bond length is 2.28 Å. The V(2)-S(8) bond length is 2.29 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. The Cu(1)-S(2) bond length is 2.31 Å. The Cu(1)-S(3) bond length is 2.31 Å. The Cu(1)-S(4) bond length is 2.39 Å. The Cu(1)-S(8) bond length is 2.37 Å. In the second Cu site, Cu(2) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(1)S4 tetrahedra. The Cu(2)-S(1) bond length is 2.30 Å. The Cu(2)-S(5) bond length is 2.40 Å. The Cu(2)-S(6) bond length is 2.40 Å. The Cu(2)-S(7) bond length is 2.31 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one K(3), one K(4), two equivalent K(2), one Mg(1), one V(2), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), one Mg(1), one V(1), and one Cu(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(3), one Mg(1), one V(1), and one Cu(2) atom. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one K(2), one K(3), one K(4), one Mg(1), one V(2), and one Cu(1) atom.