The material described by Ti13S24 crystallizes in the triclinic P-1 space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one S(11), one S(5), one S(7), and two equivalent S(9) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to one S(12), one S(2), one S(6), one S(8), and two equivalent S(10) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Ti site, Ti(3) is bonded to one S(1), one S(12), one S(3), one S(4), one S(5), and one S(8) atom to form a mixture of edge and face-sharing TiS6 octahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent S(4), two equivalent S(5), and two equivalent S(8) atoms to form a mixture of face and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fifth Ti site, Ti(5) is bonded to one S(11), one S(2), one S(3), one S(4), one S(6), and one S(7) atom to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the sixth Ti site, Ti(6) is bonded to two equivalent S(1), two equivalent S(4), and two equivalent S(7) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the seventh Ti site, Ti(7) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(8) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the eighth Ti site, Ti(8) is bonded to one S(10), one S(11), one S(12), one S(5), one S(6), and one S(9) atom to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(3), and one Ti(6) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(5), and one Ti(7) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ti(3), one Ti(4), one Ti(5), and one Ti(6) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(3), one Ti(4), and one Ti(8) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(8) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(5), and one Ti(6) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), one Ti(4), and one Ti(7) atom. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one Ti(8) and two equivalent Ti(1) atoms. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one Ti(8) and two equivalent Ti(2) atoms. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(5), and one Ti(8) atom. In the twelfth S site, S(12) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti13S24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   9.010
_cell_length_c   10.272
_cell_angle_alpha   112.362
_cell_angle_beta   112.423
_cell_angle_gamma   82.476
_symmetry_Int_Tables_number   1
_cell_volume   711.851
_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  0.490  0.505  0.667  1.0
  Ti  Ti1  1  0.995  0.998  0.660  1.0
  Ti  Ti2  1  0.747  0.249  0.832  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Ti  Ti4  1  0.246  0.760  0.833  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  Ti  Ti7  1  0.754  0.240  0.167  1.0
  Ti  Ti8  1  0.253  0.751  0.168  1.0
  Ti  Ti9  1  0.510  0.495  0.333  1.0
  Ti  Ti10  1  0.005  0.002  0.340  1.0
  Ti  Ti11  1  0.750  0.244  0.496  1.0
  Ti  Ti12  1  0.250  0.756  0.504  1.0
  S  S13  1  0.463  0.297  0.753  1.0
  S  S14  1  0.962  0.799  0.753  1.0
  S  S15  1  0.713  0.045  0.919  1.0
  S  S16  1  0.208  0.542  0.916  1.0
  S  S17  1  0.791  0.458  0.750  1.0
  S  S18  1  0.286  0.957  0.747  1.0
  S  S19  1  0.466  0.297  0.086  1.0
  S  S20  1  0.958  0.792  0.083  1.0
  S  S21  1  0.042  0.208  0.917  1.0
  S  S22  1  0.534  0.703  0.914  1.0
  S  S23  1  0.209  0.542  0.250  1.0
  S  S24  1  0.714  0.043  0.253  1.0
  S  S25  1  0.792  0.458  0.084  1.0
  S  S26  1  0.287  0.955  0.081  1.0
  S  S27  1  0.467  0.298  0.423  1.0
  S  S28  1  0.962  0.796  0.419  1.0
  S  S29  1  0.038  0.201  0.247  1.0
  S  S30  1  0.537  0.703  0.247  1.0
  S  S31  1  0.210  0.549  0.587  1.0
  S  S32  1  0.711  0.045  0.586  1.0
  S  S33  1  0.790  0.451  0.413  1.0
  S  S34  1  0.289  0.955  0.414  1.0
  S  S35  1  0.038  0.204  0.581  1.0
  S  S36  1  0.533  0.702  0.577  1.0
[/CIF]
.
The material described by Ti13S24 crystallizes in the triclinic P-1 space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one S(11), one S(5), one S(7), and two equivalent S(9) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to one S(12), one S(2), one S(6), one S(8), and two equivalent S(10) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Ti site, Ti(3) is bonded to one S(1), one S(12), one S(3), one S(4), one S(5), and one S(8) atom to form a mixture of edge and face-sharing TiS6 octahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent S(4), two equivalent S(5), and two equivalent S(8) atoms to form a mixture of face and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fifth Ti site, Ti(5) is bonded to one S(11), one S(2), one S(3), one S(4), one S(6), and one S(7) atom to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the sixth Ti site, Ti(6) is bonded to two equivalent S(1), two equivalent S(4), and two equivalent S(7) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the seventh Ti site, Ti(7) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(8) atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the eighth Ti site, Ti(8) is bonded to one S(10), one S(11), one S(12), one S(5), one S(6), and one S(9) atom to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(3), and one Ti(6) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(5), and one Ti(7) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ti(3), one Ti(4), one Ti(5), and one Ti(6) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(3), one Ti(4), and one Ti(8) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(8) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(5), and one Ti(6) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), one Ti(4), and one Ti(7) atom. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one Ti(8) and two equivalent Ti(1) atoms. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one Ti(8) and two equivalent Ti(2) atoms. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(5), and one Ti(8) atom. In the twelfth S site, S(12) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti13S24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   9.010
_cell_length_c   10.272
_cell_angle_alpha   112.362
_cell_angle_beta   112.423
_cell_angle_gamma   82.476
_symmetry_Int_Tables_number   1
_cell_volume   711.851
_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  0.490  0.505  0.667  1.0
  Ti  Ti1  1  0.995  0.998  0.660  1.0
  Ti  Ti2  1  0.747  0.249  0.832  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Ti  Ti4  1  0.246  0.760  0.833  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  Ti  Ti7  1  0.754  0.240  0.167  1.0
  Ti  Ti8  1  0.253  0.751  0.168  1.0
  Ti  Ti9  1  0.510  0.495  0.333  1.0
  Ti  Ti10  1  0.005  0.002  0.340  1.0
  Ti  Ti11  1  0.750  0.244  0.496  1.0
  Ti  Ti12  1  0.250  0.756  0.504  1.0
  S  S13  1  0.463  0.297  0.753  1.0
  S  S14  1  0.962  0.799  0.753  1.0
  S  S15  1  0.713  0.045  0.919  1.0
  S  S16  1  0.208  0.542  0.916  1.0
  S  S17  1  0.791  0.458  0.750  1.0
  S  S18  1  0.286  0.957  0.747  1.0
  S  S19  1  0.466  0.297  0.086  1.0
  S  S20  1  0.958  0.792  0.083  1.0
  S  S21  1  0.042  0.208  0.917  1.0
  S  S22  1  0.534  0.703  0.914  1.0
  S  S23  1  0.209  0.542  0.250  1.0
  S  S24  1  0.714  0.043  0.253  1.0
  S  S25  1  0.792  0.458  0.084  1.0
  S  S26  1  0.287  0.955  0.081  1.0
  S  S27  1  0.467  0.298  0.423  1.0
  S  S28  1  0.962  0.796  0.419  1.0
  S  S29  1  0.038  0.201  0.247  1.0
  S  S30  1  0.537  0.703  0.247  1.0
  S  S31  1  0.210  0.549  0.587  1.0
  S  S32  1  0.711  0.045  0.586  1.0
  S  S33  1  0.790  0.451  0.413  1.0
  S  S34  1  0.289  0.955  0.414  1.0
  S  S35  1  0.038  0.204  0.581  1.0
  S  S36  1  0.533  0.702  0.577  1.0
[/CIF]
.