InTi5S8 crystallizes in the monoclinic Cm space group. The structure consists of two 7440-74-6 atoms inside a Ti5S8 framework. In the Ti5S8 framework, there are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(3), one S(7), two equivalent S(1), and two equivalent S(8) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second Ti site, Ti(2) is bonded to one S(4), one S(8), two equivalent S(2), and two equivalent S(7) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the third Ti site, Ti(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the fourth Ti site, Ti(4) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(5) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the fifth Ti site, Ti(5) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(6) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Ti(4), two equivalent Ti(1), and two equivalent Ti(5) atoms to form distorted edge-sharing STi5 trigonal bipyramids. In the second S site, S(2) is bonded to one Ti(5), two equivalent Ti(2), and two equivalent Ti(4) atoms to form distorted edge-sharing STi5 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(5), and two equivalent Ti(3) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(4), and two equivalent Ti(3) atoms. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(4) atoms. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(5) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Ti(1) atoms.
InTi5S8 crystallizes in the monoclinic Cm space group. The structure consists of two 7440-74-6 atoms inside a Ti5S8 framework. In the Ti5S8 framework, there are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(3), one S(7), two equivalent S(1), and two equivalent S(8) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Ti(1)-S(3) bond length is 2.51 Å. The Ti(1)-S(7) bond length is 2.39 Å. Both Ti(1)-S(1) bond lengths are 2.55 Å. Both Ti(1)-S(8) bond lengths are 2.41 Å. In the second Ti site, Ti(2) is bonded to one S(4), one S(8), two equivalent S(2), and two equivalent S(7) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Ti(2)-S(4) bond length is 2.50 Å. The Ti(2)-S(8) bond length is 2.39 Å. Both Ti(2)-S(2) bond lengths are 2.54 Å. Both Ti(2)-S(7) bond lengths are 2.41 Å. In the third Ti site, Ti(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Ti(3)-S(5) bond length is 2.45 Å. The Ti(3)-S(6) bond length is 2.44 Å. Both Ti(3)-S(3) bond lengths are 2.43 Å. Both Ti(3)-S(4) bond lengths are 2.43 Å. In the fourth Ti site, Ti(4) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(5) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Ti(4)-S(1) bond length is 2.47 Å. The Ti(4)-S(4) bond length is 2.44 Å. Both Ti(4)-S(2) bond lengths are 2.50 Å. Both Ti(4)-S(5) bond lengths are 2.43 Å. In the fifth Ti site, Ti(5) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(6) atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Ti(5)-S(2) bond length is 2.47 Å. The Ti(5)-S(3) bond length is 2.44 Å. Both Ti(5)-S(1) bond lengths are 2.51 Å. Both Ti(5)-S(6) bond lengths are 2.42 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Ti(4), two equivalent Ti(1), and two equivalent Ti(5) atoms to form distorted edge-sharing STi5 trigonal bipyramids. In the second S site, S(2) is bonded to one Ti(5), two equivalent Ti(2), and two equivalent Ti(4) atoms to form distorted edge-sharing STi5 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(5), and two equivalent Ti(3) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(4), and two equivalent Ti(3) atoms. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(4) atoms. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(5) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Ti(1) atoms.