The material described by AgCrTiS4 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one S(5), one S(6), two equivalent S(1), and two equivalent S(2) atoms. In the second Ti site, Ti(2) is bonded to one S(3), one S(5), and two equivalent S(2) atoms to form distorted TiS4 trigonal pyramids that share  a cornercorner with one Cr(1)S6 octahedra, corners with two equivalent Ag(1)S4 trigonal pyramids, and  an edgeedge with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(6), two equivalent S(1), and two equivalent S(2) atoms to form CrS6 octahedra that share  a cornercorner with one Ti(2)S4 trigonal pyramid, corners with three equivalent Ag(1)S4 trigonal pyramids, and  an edgeedge with one Ti(2)S4 trigonal pyramid. In the second Cr site, Cr(2) is bonded in a distorted rectangular see-saw-like geometry to one S(4), one S(6), and two equivalent S(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(3), one S(5), and two equivalent S(1) atoms to form distorted AgS4 trigonal pyramids that share corners with three equivalent Cr(1)S6 octahedra and corners with two equivalent Ti(2)S4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 31-46°. In the second Ag site, Ag(2) is bonded in a see-saw-like geometry to one S(3), one S(4), and two equivalent S(2) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Ti(1), one Cr(1), one Cr(2), and one Ag(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Cr(1), and one Ag(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Ti(2), one Ag(1), and one Ag(2) atom. In the fourth S site, S(4) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Ag(2) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Cr(1), and one Ag(1) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   8.450
_cell_length_c   12.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.014
_cell_formula_units_Z   4
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  0.735  0.500  0.731  1.0
  Ti  Ti1  1  0.265  0.000  0.231  1.0
  Ti  Ti2  1  0.610  0.500  0.954  1.0
  Ti  Ti3  1  0.390  0.000  0.454  1.0
  Cr  Cr4  1  0.753  0.000  0.262  1.0
  Cr  Cr5  1  0.247  0.500  0.762  1.0
  Cr  Cr6  1  0.907  0.000  0.062  1.0
  Cr  Cr7  1  0.093  0.500  0.562  1.0
  Ag  Ag8  1  0.951  0.000  0.614  1.0
  Ag  Ag9  1  0.588  0.500  0.318  1.0
  Ag  Ag10  1  0.049  0.500  0.114  1.0
  Ag  Ag11  1  0.412  0.000  0.818  1.0
  S  S12  1  0.990  0.195  0.176  1.0
  S  S13  1  0.495  0.306  0.837  1.0
  S  S14  1  0.010  0.305  0.676  1.0
  S  S15  1  0.505  0.194  0.337  1.0
  S  S16  1  0.505  0.806  0.337  1.0
  S  S17  1  0.010  0.695  0.676  1.0
  S  S18  1  0.495  0.694  0.837  1.0
  S  S19  1  0.990  0.805  0.176  1.0
  S  S20  1  0.504  0.000  0.622  1.0
  S  S21  1  0.984  0.500  0.405  1.0
  S  S22  1  0.496  0.500  0.122  1.0
  S  S23  1  0.016  0.000  0.905  1.0
  S  S24  1  0.988  0.500  0.909  1.0
  S  S25  1  0.534  0.000  0.097  1.0
  S  S26  1  0.012  0.000  0.409  1.0
  S  S27  1  0.466  0.500  0.597  1.0
[/CIF]
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The material described by AgCrTiS4 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one S(5), one S(6), two equivalent S(1), and two equivalent S(2) atoms. In the second Ti site, Ti(2) is bonded to one S(3), one S(5), and two equivalent S(2) atoms to form distorted TiS4 trigonal pyramids that share  a cornercorner with one Cr(1)S6 octahedra, corners with two equivalent Ag(1)S4 trigonal pyramids, and  an edgeedge with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(6), two equivalent S(1), and two equivalent S(2) atoms to form CrS6 octahedra that share  a cornercorner with one Ti(2)S4 trigonal pyramid, corners with three equivalent Ag(1)S4 trigonal pyramids, and  an edgeedge with one Ti(2)S4 trigonal pyramid. In the second Cr site, Cr(2) is bonded in a distorted rectangular see-saw-like geometry to one S(4), one S(6), and two equivalent S(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(3), one S(5), and two equivalent S(1) atoms to form distorted AgS4 trigonal pyramids that share corners with three equivalent Cr(1)S6 octahedra and corners with two equivalent Ti(2)S4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 31-46°. In the second Ag site, Ag(2) is bonded in a see-saw-like geometry to one S(3), one S(4), and two equivalent S(2) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Ti(1), one Cr(1), one Cr(2), and one Ag(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Cr(1), and one Ag(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Ti(2), one Ag(1), and one Ag(2) atom. In the fourth S site, S(4) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Ag(2) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Cr(1), and one Ag(1) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   8.450
_cell_length_c   12.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.014
_cell_formula_units_Z   4
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  0.735  0.500  0.731  1.0
  Ti  Ti1  1  0.265  0.000  0.231  1.0
  Ti  Ti2  1  0.610  0.500  0.954  1.0
  Ti  Ti3  1  0.390  0.000  0.454  1.0
  Cr  Cr4  1  0.753  0.000  0.262  1.0
  Cr  Cr5  1  0.247  0.500  0.762  1.0
  Cr  Cr6  1  0.907  0.000  0.062  1.0
  Cr  Cr7  1  0.093  0.500  0.562  1.0
  Ag  Ag8  1  0.951  0.000  0.614  1.0
  Ag  Ag9  1  0.588  0.500  0.318  1.0
  Ag  Ag10  1  0.049  0.500  0.114  1.0
  Ag  Ag11  1  0.412  0.000  0.818  1.0
  S  S12  1  0.990  0.195  0.176  1.0
  S  S13  1  0.495  0.306  0.837  1.0
  S  S14  1  0.010  0.305  0.676  1.0
  S  S15  1  0.505  0.194  0.337  1.0
  S  S16  1  0.505  0.806  0.337  1.0
  S  S17  1  0.010  0.695  0.676  1.0
  S  S18  1  0.495  0.694  0.837  1.0
  S  S19  1  0.990  0.805  0.176  1.0
  S  S20  1  0.504  0.000  0.622  1.0
  S  S21  1  0.984  0.500  0.405  1.0
  S  S22  1  0.496  0.500  0.122  1.0
  S  S23  1  0.016  0.000  0.905  1.0
  S  S24  1  0.988  0.500  0.909  1.0
  S  S25  1  0.534  0.000  0.097  1.0
  S  S26  1  0.012  0.000  0.409  1.0
  S  S27  1  0.466  0.500  0.597  1.0
[/CIF]
.