The crystal structure described by LiTl crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a 1-coordinate geometry to one Tl(2) and three equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a distorted linear geometry to two equivalent Li(1) and three equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_LiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.183
_cell_length_c   8.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   201.784
_cell_formula_units_Z   4
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
  Li  Li0  1  0.333  0.667  0.417  1.0
  Li  Li1  1  0.667  0.333  0.583  1.0
  Li  Li2  1  0.667  0.333  0.917  1.0
  Li  Li3  1  0.333  0.667  0.083  1.0
  Tl  Tl4  1  0.000  0.000  0.250  1.0
  Tl  Tl5  1  0.000  0.000  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The crystal structure described by LiTl crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a 1-coordinate geometry to one Tl(2) and three equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a distorted linear geometry to two equivalent Li(1) and three equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_LiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.183
_cell_length_c   8.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   201.784
_cell_formula_units_Z   4
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
  Li  Li0  1  0.333  0.667  0.417  1.0
  Li  Li1  1  0.667  0.333  0.583  1.0
  Li  Li2  1  0.667  0.333  0.917  1.0
  Li  Li3  1  0.333  0.667  0.083  1.0
  Tl  Tl4  1  0.000  0.000  0.250  1.0
  Tl  Tl5  1  0.000  0.000  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
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