The compound described by TlS is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Tl site, Tl(2) is bonded to six equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to three equivalent Tl(1) and three equivalent Tl(2) atoms to form a mixture of distorted corner and edge-sharing STl6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.003
_cell_length_b   4.003
_cell_length_c   7.660
_cell_angle_alpha   74.855
_cell_angle_beta   74.855
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.336
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.735  0.735  0.795  1.0
  S  S3  1  0.265  0.265  0.205  1.0
[/CIF]
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The compound described by TlS is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Tl site, Tl(2) is bonded to six equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to three equivalent Tl(1) and three equivalent Tl(2) atoms to form a mixture of distorted corner and edge-sharing STl6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.003
_cell_length_b   4.003
_cell_length_c   7.660
_cell_angle_alpha   74.855
_cell_angle_beta   74.855
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.336
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.735  0.735  0.795  1.0
  S  S3  1  0.265  0.265  0.205  1.0
[/CIF]
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