The structure described by FeTl2S2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a linear geometry to two equivalent S(1) atoms. Tl(1) is bonded in a rectangular see-saw-like geometry to four equivalent S(1) atoms. S(1) is bonded to one Fe(1) and four equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing STl4Fe square pyramids. is represented by the CIF card [CIF]
data_Tl2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.233
_cell_length_c   5.981
_cell_angle_alpha   121.402
_cell_angle_beta   121.402
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.101
_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
  Tl  Tl0  1  0.250  0.750  0.500  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.263  0.263  0.526  1.0
  S  S4  1  0.737  0.737  0.474  1.0
[/CIF]
.
The structure described by FeTl2S2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a linear geometry to two equivalent S(1) atoms. Tl(1) is bonded in a rectangular see-saw-like geometry to four equivalent S(1) atoms. S(1) is bonded to one Fe(1) and four equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing STl4Fe square pyramids. is represented by the CIF card [CIF]
data_Tl2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.233
_cell_length_c   5.981
_cell_angle_alpha   121.402
_cell_angle_beta   121.402
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.101
_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
  Tl  Tl0  1  0.250  0.750  0.500  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.263  0.263  0.526  1.0
  S  S4  1  0.737  0.737  0.474  1.0
[/CIF]
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