MgTi6AgS12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent S(3), two equivalent S(5), and two equivalent S(6) atoms to form MgS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Ti(2)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Ti(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are three 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)S6 octahedra, corners with three equivalent Ag(1)S6 octahedra, edges with three equivalent Ti(2)S6 octahedra, and edges with three equivalent Ti(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. 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 three equivalent Mg(1)S6 octahedra, edges with three equivalent Ti(1)S6 octahedra, edges with three equivalent Ti(3)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the third Ti site, Ti(3) 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 Ag(1)S6 octahedra, edges with three equivalent Ti(1)S6 octahedra, edges with three equivalent Ti(2)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. Ag(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms to form AgS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Ti(3)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, and faces with two equivalent Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), one Ti(3), and one Ag(1) atom. In the third S site, S(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ti(3), and one Ag(1) atom to form a mixture of distorted edge and corner-sharing SMgTi3Ag trigonal bipyramids. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the fifth S site, S(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ti(3), and one Ag(1) atom to form a mixture of distorted edge and corner-sharing SMgTi3Ag trigonal bipyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Ti(3) atom.
MgTi6AgS12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent S(3), two equivalent S(5), and two equivalent S(6) atoms to form MgS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Ti(2)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Ti(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. Both Mg(1)-S(3) bond lengths are 2.66 Å. Both Mg(1)-S(5) bond lengths are 2.61 Å. Both Mg(1)-S(6) bond lengths are 2.57 Å. There are three 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)S6 octahedra, corners with three equivalent Ag(1)S6 octahedra, edges with three equivalent Ti(2)S6 octahedra, and edges with three equivalent Ti(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. The Ti(1)-S(1) bond length is 2.44 Å. The Ti(1)-S(2) bond length is 2.44 Å. The Ti(1)-S(3) bond length is 2.45 Å. The Ti(1)-S(4) bond length is 2.43 Å. The Ti(1)-S(5) bond length is 2.46 Å. The Ti(1)-S(6) bond length is 2.46 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 three equivalent Mg(1)S6 octahedra, edges with three equivalent Ti(1)S6 octahedra, edges with three equivalent Ti(3)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. The Ti(2)-S(1) bond length is 2.43 Å. The Ti(2)-S(2) bond length is 2.48 Å. The Ti(2)-S(3) bond length is 2.55 Å. The Ti(2)-S(4) bond length is 2.40 Å. The Ti(2)-S(5) bond length is 2.49 Å. The Ti(2)-S(6) bond length is 2.46 Å. In the third Ti site, Ti(3) 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 Ag(1)S6 octahedra, edges with three equivalent Ti(1)S6 octahedra, edges with three equivalent Ti(2)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. The Ti(3)-S(1) bond length is 2.40 Å. The Ti(3)-S(2) bond length is 2.39 Å. The Ti(3)-S(3) bond length is 2.48 Å. The Ti(3)-S(4) bond length is 2.41 Å. The Ti(3)-S(5) bond length is 2.51 Å. The Ti(3)-S(6) bond length is 2.51 Å. Ag(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms to form AgS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Ti(3)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, and faces with two equivalent Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. Both Ag(1)-S(2) bond lengths are 2.59 Å. Both Ag(1)-S(3) bond lengths are 2.68 Å. Both Ag(1)-S(5) bond lengths are 2.74 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), one Ti(3), and one Ag(1) atom. In the third S site, S(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ti(3), and one Ag(1) atom to form a mixture of distorted edge and corner-sharing SMgTi3Ag trigonal bipyramids. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the fifth S site, S(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ti(3), and one Ag(1) atom to form a mixture of distorted edge and corner-sharing SMgTi3Ag trigonal bipyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Ti(3) atom.