The material structure described by Ti(CrS2)2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the second Cr site, Cr(2) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded to two equivalent Ti(1), two equivalent Cr(1), and two equivalent Cr(2) atoms to form distorted corner-sharing STi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 12-42°. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Cr(1), and two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.764
_cell_length_b   4.932
_cell_length_c   4.973
_cell_angle_alpha   95.932
_cell_angle_beta   93.347
_cell_angle_gamma   93.888
_symmetry_Int_Tables_number   1
_cell_volume   115.695
_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  0.152  0.094  0.871  1.0
  Cr  Cr1  1  0.712  0.275  0.522  1.0
  Cr  Cr2  1  0.728  0.731  0.072  1.0
  S  S3  1  0.216  0.240  0.441  1.0
  S  S4  1  0.687  0.224  0.014  1.0
  S  S5  1  0.228  0.661  0.014  1.0
  S  S6  1  0.776  0.776  0.565  1.0
[/CIF]
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The material structure described by Ti(CrS2)2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the second Cr site, Cr(2) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded to two equivalent Ti(1), two equivalent Cr(1), and two equivalent Cr(2) atoms to form distorted corner-sharing STi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 12-42°. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Cr(1), and two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.764
_cell_length_b   4.932
_cell_length_c   4.973
_cell_angle_alpha   95.932
_cell_angle_beta   93.347
_cell_angle_gamma   93.888
_symmetry_Int_Tables_number   1
_cell_volume   115.695
_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  0.152  0.094  0.871  1.0
  Cr  Cr1  1  0.712  0.275  0.522  1.0
  Cr  Cr2  1  0.728  0.731  0.072  1.0
  S  S3  1  0.216  0.240  0.441  1.0
  S  S4  1  0.687  0.224  0.014  1.0
  S  S5  1  0.228  0.661  0.014  1.0
  S  S6  1  0.776  0.776  0.565  1.0
[/CIF]
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