K4Mg(TiS3)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 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(5), one S(6), and two equivalent S(3) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), and two equivalent S(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to one K(3), one S(2), one S(4), one S(5), and one S(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted trigonal bipyramidal geometry to one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(4), one S(5), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), two equivalent K(4), and one Ti(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Mg(1), and one Ti(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(4), two equivalent K(3), one Ti(1), and one Ti(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth S site, S(5) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one Mg(1), one Ti(1), and one Ti(2) atom.
K4Mg(TiS3)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 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. The K(1)-S(1) bond length is 3.20 Å. The K(1)-S(2) bond length is 3.49 Å. The K(1)-S(3) bond length is 3.10 Å. The K(1)-S(4) bond length is 3.29 Å. The K(1)-S(5) bond length is 3.41 Å. The K(1)-S(6) bond length is 3.40 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. The K(2)-S(1) bond length is 3.61 Å. The K(2)-S(2) bond length is 3.13 Å. The K(2)-S(3) bond length is 3.25 Å. The K(2)-S(4) bond length is 2.98 Å. The K(2)-S(5) bond length is 3.44 Å. The K(2)-S(6) bond length is 3.16 Å. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(5), one S(6), and two equivalent S(3) atoms. The K(3)-Mg(1) bond length is 3.27 Å. The K(3)-S(1) bond length is 3.14 Å. The K(3)-S(2) bond length is 3.07 Å. The K(3)-S(5) bond length is 3.36 Å. The K(3)-S(6) bond length is 3.17 Å. There is one shorter (3.48 Å) and one longer (3.65 Å) K(3)-S(3) bond length. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), and two equivalent S(1) atoms. The K(4)-S(2) bond length is 3.49 Å. The K(4)-S(3) bond length is 3.17 Å. The K(4)-S(4) bond length is 3.40 Å. The K(4)-S(5) bond length is 3.17 Å. There is one shorter (3.33 Å) and one longer (3.60 Å) K(4)-S(1) bond length. Mg(1) is bonded in a 4-coordinate geometry to one K(3), one S(2), one S(4), one S(5), and one S(6) atom. The Mg(1)-S(2) bond length is 2.45 Å. The Mg(1)-S(4) bond length is 2.47 Å. The Mg(1)-S(5) bond length is 2.47 Å. The Mg(1)-S(6) bond length is 2.47 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted trigonal bipyramidal geometry to one S(2), one S(3), one S(4), one S(5), and one S(6) atom. The Ti(1)-S(2) bond length is 2.38 Å. The Ti(1)-S(3) bond length is 2.48 Å. The Ti(1)-S(4) bond length is 2.37 Å. The Ti(1)-S(5) bond length is 2.45 Å. The Ti(1)-S(6) bond length is 2.56 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(4), one S(5), and one S(6) atom. The Ti(2)-S(1) bond length is 2.26 Å. The Ti(2)-S(3) bond length is 2.56 Å. The Ti(2)-S(4) bond length is 2.45 Å. The Ti(2)-S(5) bond length is 2.45 Å. The Ti(2)-S(6) bond length is 2.67 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), two equivalent K(4), and one Ti(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Mg(1), and one Ti(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(4), two equivalent K(3), one Ti(1), and one Ti(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth S site, S(5) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one Mg(1), one Ti(1), and one Ti(2) atom.