K3(VS2)5 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(4), one S(5), one S(8), and one S(9) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(2), one S(3), one S(6), and one S(7) atom. In the third K site, K(3) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), one S(8), and one S(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(10), one S(2), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. In the second V site, V(2) is bonded to one S(10), one S(2), one S(3), one S(4), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. In the third V site, V(3) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. In the fourth V site, V(4) is bonded to one S(10), one S(2), one S(5), one S(6), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. In the fifth V site, V(5) is bonded to one S(1), one S(3), one S(4), one S(7), one S(8), and one S(9) atom to form edge-sharing VS6 octahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one K(1), one K(2), one V(1), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the second S site, S(2) is bonded to one K(2), one K(3), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the third S site, S(3) is bonded to one K(2), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the fourth S site, S(4) is bonded to one K(1), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the fifth S site, S(5) is bonded to one K(1), one K(3), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one K(2), one V(1), one V(3), and one V(4) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one V(2), one V(4), and one V(5) atom. In the eighth S site, S(8) is bonded to one K(1), one K(3), one V(2), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one K(1), one K(3), one V(1), one V(3), and one V(5) atom. In the tenth S site, S(10) is bonded to one K(1), one K(2), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids.
K3(VS2)5 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(4), one S(5), one S(8), and one S(9) atom. The K(1)-S(1) bond length is 3.16 Å. The K(1)-S(10) bond length is 3.12 Å. The K(1)-S(4) bond length is 3.16 Å. The K(1)-S(5) bond length is 3.16 Å. The K(1)-S(8) bond length is 3.13 Å. The K(1)-S(9) bond length is 3.22 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(2), one S(3), one S(6), and one S(7) atom. The K(2)-S(1) bond length is 3.17 Å. The K(2)-S(10) bond length is 3.14 Å. The K(2)-S(2) bond length is 3.08 Å. The K(2)-S(3) bond length is 3.22 Å. The K(2)-S(6) bond length is 3.15 Å. The K(2)-S(7) bond length is 3.20 Å. In the third K site, K(3) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), one S(8), and one S(9) atom. The K(3)-S(2) bond length is 3.16 Å. The K(3)-S(3) bond length is 3.16 Å. The K(3)-S(4) bond length is 3.18 Å. The K(3)-S(5) bond length is 3.16 Å. The K(3)-S(8) bond length is 3.16 Å. The K(3)-S(9) bond length is 3.18 Å. There are five inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(10), one S(2), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. The V(1)-S(1) bond length is 2.43 Å. The V(1)-S(10) bond length is 2.40 Å. The V(1)-S(2) bond length is 2.44 Å. The V(1)-S(5) bond length is 2.46 Å. The V(1)-S(6) bond length is 2.36 Å. The V(1)-S(9) bond length is 2.40 Å. In the second V site, V(2) is bonded to one S(10), one S(2), one S(3), one S(4), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. The V(2)-S(10) bond length is 2.40 Å. The V(2)-S(2) bond length is 2.37 Å. The V(2)-S(3) bond length is 2.41 Å. The V(2)-S(4) bond length is 2.44 Å. The V(2)-S(7) bond length is 2.43 Å. The V(2)-S(8) bond length is 2.45 Å. In the third V site, V(3) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. The V(3)-S(1) bond length is 2.43 Å. The V(3)-S(3) bond length is 2.52 Å. The V(3)-S(4) bond length is 2.50 Å. The V(3)-S(5) bond length is 2.35 Å. The V(3)-S(6) bond length is 2.31 Å. The V(3)-S(9) bond length is 2.37 Å. In the fourth V site, V(4) is bonded to one S(10), one S(2), one S(5), one S(6), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. The V(4)-S(10) bond length is 2.40 Å. The V(4)-S(2) bond length is 2.41 Å. The V(4)-S(5) bond length is 2.45 Å. The V(4)-S(6) bond length is 2.51 Å. The V(4)-S(7) bond length is 2.33 Å. The V(4)-S(8) bond length is 2.35 Å. In the fifth V site, V(5) is bonded to one S(1), one S(3), one S(4), one S(7), one S(8), and one S(9) atom to form edge-sharing VS6 octahedra. The V(5)-S(1) bond length is 2.49 Å. The V(5)-S(3) bond length is 2.41 Å. The V(5)-S(4) bond length is 2.37 Å. The V(5)-S(7) bond length is 2.31 Å. The V(5)-S(8) bond length is 2.34 Å. The V(5)-S(9) bond length is 2.51 Å. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one K(1), one K(2), one V(1), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the second S site, S(2) is bonded to one K(2), one K(3), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the third S site, S(3) is bonded to one K(2), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the fourth S site, S(4) is bonded to one K(1), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the fifth S site, S(5) is bonded to one K(1), one K(3), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one K(2), one V(1), one V(3), and one V(4) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one V(2), one V(4), and one V(5) atom. In the eighth S site, S(8) is bonded to one K(1), one K(3), one V(2), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one K(1), one K(3), one V(1), one V(3), and one V(5) atom. In the tenth S site, S(10) is bonded to one K(1), one K(2), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids.