The structure described by Ti(CrS2)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form TiS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1) and three equivalent Cr(1) atoms. In the second S site, S(1) is bonded to two equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing STi2Cr3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ti(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.781
_cell_length_b   6.781
_cell_length_c   6.149
_cell_angle_alpha   62.596
_cell_angle_beta   62.596
_cell_angle_gamma   29.650
_symmetry_Int_Tables_number   1
_cell_volume   123.003
_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
  Cr  Cr1  1  0.736  0.736  0.250  1.0
  Cr  Cr2  1  0.264  0.264  0.750  1.0
  S  S3  1  0.635  0.635  0.705  1.0
  S  S4  1  0.365  0.365  0.295  1.0
  S  S5  1  0.871  0.871  0.811  1.0
  S  S6  1  0.129  0.129  0.189  1.0
[/CIF]
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The structure described by Ti(CrS2)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form TiS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1) and three equivalent Cr(1) atoms. In the second S site, S(1) is bonded to two equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing STi2Cr3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ti(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.781
_cell_length_b   6.781
_cell_length_c   6.149
_cell_angle_alpha   62.596
_cell_angle_beta   62.596
_cell_angle_gamma   29.650
_symmetry_Int_Tables_number   1
_cell_volume   123.003
_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
  Cr  Cr1  1  0.736  0.736  0.250  1.0
  Cr  Cr2  1  0.264  0.264  0.750  1.0
  S  S3  1  0.635  0.635  0.705  1.0
  S  S4  1  0.365  0.365  0.295  1.0
  S  S5  1  0.871  0.871  0.811  1.0
  S  S6  1  0.129  0.129  0.189  1.0
[/CIF]
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