The material structure described by Ti(MoS2)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Mo(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.749
_cell_length_b   6.749
_cell_length_c   6.048
_cell_angle_alpha   67.360
_cell_angle_beta   67.360
_cell_angle_gamma   27.529
_symmetry_Int_Tables_number   1
_cell_volume   116.878
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.741  0.741  0.315  1.0
  Mo  Mo2  1  0.259  0.259  0.685  1.0
  S  S3  1  0.891  0.891  0.443  1.0
  S  S4  1  0.109  0.109  0.557  1.0
  S  S5  1  0.639  0.639  0.026  1.0
  S  S6  1  0.361  0.361  0.974  1.0
[/CIF]
.
The material structure described by Ti(MoS2)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Mo(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.749
_cell_length_b   6.749
_cell_length_c   6.048
_cell_angle_alpha   67.360
_cell_angle_beta   67.360
_cell_angle_gamma   27.529
_symmetry_Int_Tables_number   1
_cell_volume   116.878
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.741  0.741  0.315  1.0
  Mo  Mo2  1  0.259  0.259  0.685  1.0
  S  S3  1  0.891  0.891  0.443  1.0
  S  S4  1  0.109  0.109  0.557  1.0
  S  S5  1  0.639  0.639  0.026  1.0
  S  S6  1  0.361  0.361  0.974  1.0
[/CIF]
.