The compound described by AgCrTiS4 crystallizes in the monoclinic P2/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 eight equivalent Ag(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Ti(1)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. Ag(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form distorted AgS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with eight equivalent Ti(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Cr(1), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.488
_cell_length_b   5.935
_cell_length_c   6.542
_cell_angle_alpha   88.531
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.385
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.000  0.329  0.714  1.0
  S  S4  1  0.500  0.833  0.711  1.0
  S  S5  1  0.500  0.167  0.289  1.0
  S  S6  1  0.000  0.671  0.286  1.0
[/CIF]
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The compound described by AgCrTiS4 crystallizes in the monoclinic P2/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 eight equivalent Ag(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Ti(1)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. Ag(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form distorted AgS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with eight equivalent Ti(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Cr(1), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.488
_cell_length_b   5.935
_cell_length_c   6.542
_cell_angle_alpha   88.531
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.385
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.000  0.329  0.714  1.0
  S  S4  1  0.500  0.833  0.711  1.0
  S  S5  1  0.500  0.167  0.289  1.0
  S  S6  1  0.000  0.671  0.286  1.0
[/CIF]
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