Sr2Mg(TiS3)2 is Krennerite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one S(1), one S(5), one S(6), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one S(2), one S(3), one S(4), two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. Mg(1) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form distorted MgS5 trigonal bipyramids that share corners with two equivalent Ti(2)S6 octahedra, corners with three equivalent Ti(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and  a faceface with one Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 36-44°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form TiS6 octahedra that share corners with three equivalent Mg(1)S5 trigonal bipyramids,  an edgeedge with one Mg(1)S5 trigonal bipyramid, and faces with two equivalent Ti(2)S6 octahedra. In the second Ti site, Ti(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form TiS6 octahedra that share corners with two equivalent Mg(1)S5 trigonal bipyramids, faces with two equivalent Ti(1)S6 octahedra, and  a faceface with one Mg(1)S5 trigonal bipyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(2), 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 Sr(1), two equivalent Sr(2), one Mg(1), one Ti(1), and one Ti(2) atom.
Sr2Mg(TiS3)2 is Krennerite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one S(1), one S(5), one S(6), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. The Sr(1)-S(1) bond length is 2.88 Å. The Sr(1)-S(5) bond length is 3.02 Å. The Sr(1)-S(6) bond length is 3.07 Å. There is one shorter (3.20 Å) and one longer (3.55 Å) Sr(1)-S(2) bond length. There is one shorter (3.30 Å) and one longer (3.33 Å) Sr(1)-S(3) bond length. There is one shorter (3.32 Å) and one longer (3.49 Å) Sr(1)-S(4) bond length. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one S(2), one S(3), one S(4), two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. The Sr(2)-S(2) bond length is 2.95 Å. The Sr(2)-S(3) bond length is 2.92 Å. The Sr(2)-S(4) bond length is 2.93 Å. There is one shorter (3.37 Å) and one longer (3.47 Å) Sr(2)-S(1) bond length. There is one shorter (3.21 Å) and one longer (3.35 Å) Sr(2)-S(5) bond length. There is one shorter (3.19 Å) and one longer (3.42 Å) Sr(2)-S(6) bond length. Mg(1) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form distorted MgS5 trigonal bipyramids that share corners with two equivalent Ti(2)S6 octahedra, corners with three equivalent Ti(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and  a faceface with one Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 36-44°. The Mg(1)-S(2) bond length is 2.51 Å. The Mg(1)-S(3) bond length is 2.50 Å. The Mg(1)-S(4) bond length is 2.53 Å. The Mg(1)-S(5) bond length is 2.70 Å. The Mg(1)-S(6) bond length is 2.72 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form TiS6 octahedra that share corners with three equivalent Mg(1)S5 trigonal bipyramids,  an edgeedge with one Mg(1)S5 trigonal bipyramid, and faces with two equivalent Ti(2)S6 octahedra. The Ti(1)-S(1) bond length is 2.37 Å. The Ti(1)-S(2) bond length is 2.52 Å. The Ti(1)-S(3) bond length is 2.53 Å. The Ti(1)-S(4) bond length is 2.59 Å. The Ti(1)-S(5) bond length is 2.50 Å. The Ti(1)-S(6) bond length is 2.49 Å. In the second Ti site, Ti(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form TiS6 octahedra that share corners with two equivalent Mg(1)S5 trigonal bipyramids, faces with two equivalent Ti(1)S6 octahedra, and  a faceface with one Mg(1)S5 trigonal bipyramid. The Ti(2)-S(1) bond length is 2.36 Å. The Ti(2)-S(2) bond length is 2.54 Å. The Ti(2)-S(3) bond length is 2.56 Å. The Ti(2)-S(4) bond length is 2.58 Å. The Ti(2)-S(5) bond length is 2.49 Å. The Ti(2)-S(6) bond length is 2.47 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(2), 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 Sr(1), two equivalent Sr(2), one Mg(1), one Ti(1), and one Ti(2) atom.