The crystal structure described by AgCrTiS4 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to three equivalent S(2) and three equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. Cr(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form CrS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Ag(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form distorted AgS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra,  a faceface with one Ti(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Ag(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one Ag(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Cr(1) and two equivalent Ag(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to three equivalent Ti(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   3.472
_cell_length_b   5.955
_cell_length_c   12.951
_cell_angle_alpha   88.271
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.671
_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  0.250  0.247  0.503  1.0
  Ti  Ti1  1  0.750  0.753  0.497  1.0
  Cr  Cr2  1  0.250  0.267  0.993  1.0
  Cr  Cr3  1  0.750  0.733  0.007  1.0
  Ag  Ag4  1  0.750  0.768  0.759  1.0
  Ag  Ag5  1  0.250  0.232  0.241  1.0
  S  S6  1  0.750  0.424  0.892  1.0
  S  S7  1  0.750  0.079  0.612  1.0
  S  S8  1  0.250  0.921  0.388  1.0
  S  S9  1  0.250  0.576  0.108  1.0
  S  S10  1  0.250  0.919  0.904  1.0
  S  S11  1  0.250  0.577  0.610  1.0
  S  S12  1  0.750  0.423  0.390  1.0
  S  S13  1  0.750  0.081  0.096  1.0
[/CIF]
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The crystal structure described by AgCrTiS4 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to three equivalent S(2) and three equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. Cr(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form CrS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Ag(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form distorted AgS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra,  a faceface with one Ti(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Ag(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one Ag(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Cr(1) and two equivalent Ag(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to three equivalent Ti(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   3.472
_cell_length_b   5.955
_cell_length_c   12.951
_cell_angle_alpha   88.271
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.671
_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  0.250  0.247  0.503  1.0
  Ti  Ti1  1  0.750  0.753  0.497  1.0
  Cr  Cr2  1  0.250  0.267  0.993  1.0
  Cr  Cr3  1  0.750  0.733  0.007  1.0
  Ag  Ag4  1  0.750  0.768  0.759  1.0
  Ag  Ag5  1  0.250  0.232  0.241  1.0
  S  S6  1  0.750  0.424  0.892  1.0
  S  S7  1  0.750  0.079  0.612  1.0
  S  S8  1  0.250  0.921  0.388  1.0
  S  S9  1  0.250  0.576  0.108  1.0
  S  S10  1  0.250  0.919  0.904  1.0
  S  S11  1  0.250  0.577  0.610  1.0
  S  S12  1  0.750  0.423  0.390  1.0
  S  S13  1  0.750  0.081  0.096  1.0
[/CIF]
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