The material described by LiTl crystallizes in the orthorhombic Cmce space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Tl(2), and four equivalent Tl(1) atoms. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(3), two equivalent Tl(1), and two equivalent Tl(2) atoms. In the third Li site, Li(3) is bonded in a 9-coordinate geometry to two equivalent Li(2), three equivalent Tl(2), and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and three equivalent Li(3) atoms. In the second Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), and two equivalent Li(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.152
_cell_length_b   8.152
_cell_length_c   8.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.558
_symmetry_Int_Tables_number   1
_cell_volume   542.005
_cell_formula_units_Z   12
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  0.600  0.100  0.750  1.0
  Li  Li1  1  0.900  0.400  0.250  1.0
  Li  Li2  1  0.400  0.900  0.250  1.0
  Li  Li3  1  0.100  0.600  0.750  1.0
  Li  Li4  1  0.344  0.656  0.500  1.0
  Li  Li5  1  0.844  0.156  0.000  1.0
  Li  Li6  1  0.656  0.344  0.500  1.0
  Li  Li7  1  0.156  0.844  0.000  1.0
  Li  Li8  1  0.317  0.317  0.394  1.0
  Li  Li9  1  0.683  0.683  0.606  1.0
  Li  Li10  1  0.183  0.183  0.894  1.0
  Li  Li11  1  0.817  0.817  0.106  1.0
  Tl  Tl12  1  0.291  0.992  0.593  1.0
  Tl  Tl13  1  0.008  0.709  0.407  1.0
  Tl  Tl14  1  0.508  0.209  0.093  1.0
  Tl  Tl15  1  0.791  0.492  0.907  1.0
  Tl  Tl16  1  0.709  0.008  0.407  1.0
  Tl  Tl17  1  0.992  0.291  0.593  1.0
  Tl  Tl18  1  0.492  0.791  0.907  1.0
  Tl  Tl19  1  0.209  0.508  0.093  1.0
  Tl  Tl20  1  0.912  0.912  0.760  1.0
  Tl  Tl21  1  0.088  0.088  0.240  1.0
  Tl  Tl22  1  0.588  0.588  0.260  1.0
  Tl  Tl23  1  0.412  0.412  0.740  1.0
[/CIF]
.
The material described by LiTl crystallizes in the orthorhombic Cmce space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Tl(2), and four equivalent Tl(1) atoms. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(3), two equivalent Tl(1), and two equivalent Tl(2) atoms. In the third Li site, Li(3) is bonded in a 9-coordinate geometry to two equivalent Li(2), three equivalent Tl(2), and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and three equivalent Li(3) atoms. In the second Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), and two equivalent Li(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.152
_cell_length_b   8.152
_cell_length_c   8.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.558
_symmetry_Int_Tables_number   1
_cell_volume   542.005
_cell_formula_units_Z   12
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  0.600  0.100  0.750  1.0
  Li  Li1  1  0.900  0.400  0.250  1.0
  Li  Li2  1  0.400  0.900  0.250  1.0
  Li  Li3  1  0.100  0.600  0.750  1.0
  Li  Li4  1  0.344  0.656  0.500  1.0
  Li  Li5  1  0.844  0.156  0.000  1.0
  Li  Li6  1  0.656  0.344  0.500  1.0
  Li  Li7  1  0.156  0.844  0.000  1.0
  Li  Li8  1  0.317  0.317  0.394  1.0
  Li  Li9  1  0.683  0.683  0.606  1.0
  Li  Li10  1  0.183  0.183  0.894  1.0
  Li  Li11  1  0.817  0.817  0.106  1.0
  Tl  Tl12  1  0.291  0.992  0.593  1.0
  Tl  Tl13  1  0.008  0.709  0.407  1.0
  Tl  Tl14  1  0.508  0.209  0.093  1.0
  Tl  Tl15  1  0.791  0.492  0.907  1.0
  Tl  Tl16  1  0.709  0.008  0.407  1.0
  Tl  Tl17  1  0.992  0.291  0.593  1.0
  Tl  Tl18  1  0.492  0.791  0.907  1.0
  Tl  Tl19  1  0.209  0.508  0.093  1.0
  Tl  Tl20  1  0.912  0.912  0.760  1.0
  Tl  Tl21  1  0.088  0.088  0.240  1.0
  Tl  Tl22  1  0.588  0.588  0.260  1.0
  Tl  Tl23  1  0.412  0.412  0.740  1.0
[/CIF]
.