Mg(TiS3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one S(2), one S(5), two equivalent S(1), and two equivalent S(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 trigonal pyramids. In the fourth S site, S(4) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 tetrahedra. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms.
Mg(TiS3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one S(2), one S(5), two equivalent S(1), and two equivalent S(6) atoms. The Mg(1)-S(2) bond length is 2.53 Å. The Mg(1)-S(5) bond length is 2.49 Å. Both Mg(1)-S(1) bond lengths are 2.61 Å. Both Mg(1)-S(6) bond lengths are 2.61 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. Both Ti(1)-S(2) bond lengths are 2.50 Å. Both Ti(1)-S(3) bond lengths are 2.48 Å. Both Ti(1)-S(4) bond lengths are 2.72 Å. Both Ti(1)-S(5) bond lengths are 2.50 Å. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Both Ti(2)-S(1) bond lengths are 2.61 Å. There is one shorter (2.69 Å) and one longer (2.70 Å) Ti(2)-S(3) bond length. Both Ti(2)-S(4) bond lengths are 2.44 Å. Both Ti(2)-S(6) bond lengths are 2.61 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 trigonal pyramids. In the fourth S site, S(4) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 tetrahedra. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms.