The material described by ScTlS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to six equivalent S(1) atoms to form edge-sharing ScS6 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 Sc(1) and three equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_ScTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.792
_cell_length_b   3.792
_cell_length_c   14.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.211
_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
  Sc  Sc0  1  0.000  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Tl  Tl2  1  0.667  0.333  0.750  1.0
  Tl  Tl3  1  0.333  0.667  0.250  1.0
  S  S4  1  0.333  0.667  0.905  1.0
  S  S5  1  0.667  0.333  0.405  1.0
  S  S6  1  0.333  0.667  0.595  1.0
  S  S7  1  0.667  0.333  0.095  1.0
[/CIF]
.
The material described by ScTlS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to six equivalent S(1) atoms to form edge-sharing ScS6 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 Sc(1) and three equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_ScTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.792
_cell_length_b   3.792
_cell_length_c   14.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.211
_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
  Sc  Sc0  1  0.000  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Tl  Tl2  1  0.667  0.333  0.750  1.0
  Tl  Tl3  1  0.333  0.667  0.250  1.0
  S  S4  1  0.333  0.667  0.905  1.0
  S  S5  1  0.667  0.333  0.405  1.0
  S  S6  1  0.333  0.667  0.595  1.0
  S  S7  1  0.667  0.333  0.095  1.0
[/CIF]
.