The structure described by TiCrS4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form TiS6 octahedra that share edges with two equivalent Ti(1)S6 octahedra and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Ti(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.834
_cell_length_c   6.851
_cell_angle_alpha   59.915
_cell_angle_beta   59.909
_cell_angle_gamma   60.365
_symmetry_Int_Tables_number   1
_cell_volume   226.530
_cell_formula_units_Z   2
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  0.500  0.500  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  1.000  1.0
  S  S4  1  0.747  0.747  0.753  1.0
  S  S5  1  0.253  0.253  0.747  1.0
  S  S6  1  0.263  0.739  0.249  1.0
  S  S7  1  0.739  0.263  0.249  1.0
  S  S8  1  0.737  0.261  0.751  1.0
  S  S9  1  0.260  0.737  0.751  1.0
  S  S10  1  0.253  0.253  0.247  1.0
  S  S11  1  0.747  0.747  0.253  1.0
[/CIF]
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The structure described by TiCrS4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form TiS6 octahedra that share edges with two equivalent Ti(1)S6 octahedra and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Ti(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.834
_cell_length_c   6.851
_cell_angle_alpha   59.915
_cell_angle_beta   59.909
_cell_angle_gamma   60.365
_symmetry_Int_Tables_number   1
_cell_volume   226.530
_cell_formula_units_Z   2
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  0.500  0.500  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  1.000  1.0
  S  S4  1  0.747  0.747  0.753  1.0
  S  S5  1  0.253  0.253  0.747  1.0
  S  S6  1  0.263  0.739  0.249  1.0
  S  S7  1  0.739  0.263  0.249  1.0
  S  S8  1  0.737  0.261  0.751  1.0
  S  S9  1  0.260  0.737  0.751  1.0
  S  S10  1  0.253  0.253  0.247  1.0
  S  S11  1  0.747  0.747  0.253  1.0
[/CIF]
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