The material structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5InS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   9.047
_cell_length_c   8.921
_cell_angle_alpha   75.812
_cell_angle_beta   75.812
_cell_angle_gamma   21.869
_symmetry_Int_Tables_number   1
_cell_volume   263.345
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.794  0.794  0.851  1.0
  Ti  Ti1  1  0.208  0.208  0.149  1.0
  Ti  Ti2  1  0.500  0.500  0.499  1.0
  Ti  Ti3  1  0.164  0.164  0.507  1.0
  Ti  Ti4  1  0.837  0.837  0.491  1.0
  In  In5  1  0.007  0.007  0.985  1.0
  S  S6  1  0.259  0.259  0.668  1.0
  S  S7  1  0.742  0.742  0.331  1.0
  S  S8  1  0.925  0.925  0.663  1.0
  S  S9  1  0.076  0.076  0.336  1.0
  S  S10  1  0.588  0.588  0.671  1.0
  S  S11  1  0.412  0.412  0.328  1.0
  S  S12  1  0.662  0.662  0.002  1.0
  S  S13  1  0.339  0.339  0.996  1.0
[/CIF]
.
The material structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5InS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   9.047
_cell_length_c   8.921
_cell_angle_alpha   75.812
_cell_angle_beta   75.812
_cell_angle_gamma   21.869
_symmetry_Int_Tables_number   1
_cell_volume   263.345
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.794  0.794  0.851  1.0
  Ti  Ti1  1  0.208  0.208  0.149  1.0
  Ti  Ti2  1  0.500  0.500  0.499  1.0
  Ti  Ti3  1  0.164  0.164  0.507  1.0
  Ti  Ti4  1  0.837  0.837  0.491  1.0
  In  In5  1  0.007  0.007  0.985  1.0
  S  S6  1  0.259  0.259  0.668  1.0
  S  S7  1  0.742  0.742  0.331  1.0
  S  S8  1  0.925  0.925  0.663  1.0
  S  S9  1  0.076  0.076  0.336  1.0
  S  S10  1  0.588  0.588  0.671  1.0
  S  S11  1  0.412  0.412  0.328  1.0
  S  S12  1  0.662  0.662  0.002  1.0
  S  S13  1  0.339  0.339  0.996  1.0
[/CIF]
.