The material structure described by MgTiS2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(1) and three equivalent S(2) atoms. Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing TiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Ti(1) atoms. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Ti(1) atoms to form edge-sharing SMg3Ti3 octahedra. is represented by the CIF file [CIF]
data_MgTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.557
_cell_length_b   3.557
_cell_length_c   6.763
_cell_angle_alpha   90.320
_cell_angle_beta   89.680
_cell_angle_gamma   120.038
_symmetry_Int_Tables_number   1
_cell_volume   74.098
_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
  Mg  Mg0  1  0.337  0.663  0.571  1.0
  Ti  Ti1  1  0.000  1.000  0.012  1.0
  S  S2  1  0.333  0.667  0.215  1.0
  S  S3  1  0.669  0.331  0.775  1.0
[/CIF]
.
The material structure described by MgTiS2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(1) and three equivalent S(2) atoms. Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing TiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Ti(1) atoms. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Ti(1) atoms to form edge-sharing SMg3Ti3 octahedra. is represented by the CIF file [CIF]
data_MgTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.557
_cell_length_b   3.557
_cell_length_c   6.763
_cell_angle_alpha   90.320
_cell_angle_beta   89.680
_cell_angle_gamma   120.038
_symmetry_Int_Tables_number   1
_cell_volume   74.098
_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
  Mg  Mg0  1  0.337  0.663  0.571  1.0
  Ti  Ti1  1  0.000  1.000  0.012  1.0
  S  S2  1  0.333  0.667  0.215  1.0
  S  S3  1  0.669  0.331  0.775  1.0
[/CIF]
.