The material described by LuTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Lu(1) is bonded to six equivalent S(1) atoms to form edge-sharing LuS6 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 Lu(1) and three equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_LuTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.920
_cell_length_b   3.920
_cell_length_c   7.836
_cell_angle_alpha   75.514
_cell_angle_beta   75.514
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   99.825
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.731  0.731  0.807  1.0
  S  S3  1  0.269  0.269  0.193  1.0
[/CIF]
.
The material described by LuTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Lu(1) is bonded to six equivalent S(1) atoms to form edge-sharing LuS6 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 Lu(1) and three equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_LuTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.920
_cell_length_b   3.920
_cell_length_c   7.836
_cell_angle_alpha   75.514
_cell_angle_beta   75.514
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   99.825
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.731  0.731  0.807  1.0
  S  S3  1  0.269  0.269  0.193  1.0
[/CIF]
.