The compound described by ErTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Er(1) is bonded to six equivalent S(1) atoms to form edge-sharing ErS6 octahedra. Tl(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Er(1) and three equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_ErTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.850
_cell_length_b   7.850
_cell_length_c   7.850
_cell_angle_alpha   29.287
_cell_angle_beta   29.287
_cell_angle_gamma   29.287
_symmetry_Int_Tables_number   1
_cell_volume   102.415
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.732  0.732  0.732  1.0
  S  S3  1  0.268  0.268  0.268  1.0
[/CIF]
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The compound described by ErTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Er(1) is bonded to six equivalent S(1) atoms to form edge-sharing ErS6 octahedra. Tl(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Er(1) and three equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_ErTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.850
_cell_length_b   7.850
_cell_length_c   7.850
_cell_angle_alpha   29.287
_cell_angle_beta   29.287
_cell_angle_gamma   29.287
_symmetry_Int_Tables_number   1
_cell_volume   102.415
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.732  0.732  0.732  1.0
  S  S3  1  0.268  0.268  0.268  1.0
[/CIF]
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