The crystal structure described by AgCrTiS4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, corners with six equivalent Ag(1)S4 tetrahedra, and edges with two equivalent Ti(1)S6 octahedra. Cr(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CrS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with two equivalent Ag(1)S4 tetrahedra, and  an edgeedge with one Ag(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. Ag(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form AgS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with two equivalent Cr(1)S4 tetrahedra, and  an edgeedge with one Cr(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ti(1), one Cr(1), and one Ag(1) atom to form a mixture of distorted corner and edge-sharing STi2CrAg tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(1), and one Ag(1) atom. In the third S site, S(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(1), and one Ag(1) atom. is represented by the CIF card [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.423
_cell_length_c   7.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.928
_symmetry_Int_Tables_number   1
_cell_volume   279.684
_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
  Ag  Ag0  1  0.637  0.863  0.250  1.0
  Ag  Ag1  1  0.363  0.137  0.750  1.0
  Cr  Cr2  1  0.360  0.140  0.250  1.0
  Cr  Cr3  1  0.640  0.860  0.750  1.0
  S  S4  1  0.745  0.288  0.250  1.0
  S  S5  1  0.255  0.712  0.750  1.0
  S  S6  1  0.212  0.755  0.250  1.0
  S  S7  1  0.788  0.245  0.750  1.0
  S  S8  1  0.774  0.726  0.526  1.0
  S  S9  1  0.226  0.274  0.474  1.0
  S  S10  1  0.774  0.726  0.974  1.0
  S  S11  1  0.226  0.274  0.026  1.0
  Ti  Ti12  1  0.000  0.500  0.000  1.0
  Ti  Ti13  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by AgCrTiS4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, corners with six equivalent Ag(1)S4 tetrahedra, and edges with two equivalent Ti(1)S6 octahedra. Cr(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CrS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with two equivalent Ag(1)S4 tetrahedra, and  an edgeedge with one Ag(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. Ag(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form AgS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with two equivalent Cr(1)S4 tetrahedra, and  an edgeedge with one Cr(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ti(1), one Cr(1), and one Ag(1) atom to form a mixture of distorted corner and edge-sharing STi2CrAg tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(1), and one Ag(1) atom. In the third S site, S(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(1), and one Ag(1) atom. is represented by the CIF card [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.423
_cell_length_c   7.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.928
_symmetry_Int_Tables_number   1
_cell_volume   279.684
_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
  Ag  Ag0  1  0.637  0.863  0.250  1.0
  Ag  Ag1  1  0.363  0.137  0.750  1.0
  Cr  Cr2  1  0.360  0.140  0.250  1.0
  Cr  Cr3  1  0.640  0.860  0.750  1.0
  S  S4  1  0.745  0.288  0.250  1.0
  S  S5  1  0.255  0.712  0.750  1.0
  S  S6  1  0.212  0.755  0.250  1.0
  S  S7  1  0.788  0.245  0.750  1.0
  S  S8  1  0.774  0.726  0.526  1.0
  S  S9  1  0.226  0.274  0.474  1.0
  S  S10  1  0.774  0.726  0.974  1.0
  S  S11  1  0.226  0.274  0.026  1.0
  Ti  Ti12  1  0.000  0.500  0.000  1.0
  Ti  Ti13  1  0.000  0.500  0.500  1.0
[/CIF]
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