The crystal structure described by Na2Tl crystallizes in the orthorhombic C222_1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent Na(3), two equivalent Tl(1), and two equivalent Tl(2) atoms. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to two equivalent Na(3), two equivalent Na(4), two equivalent Na(5), two equivalent Tl(1), and four equivalent Tl(2) atoms. In the third Na site, Na(3) is bonded in a 13-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), three equivalent Na(5), two equivalent Tl(2), and three equivalent Tl(1) atoms. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(3), two equivalent Tl(1), and two equivalent Tl(2) atoms. In the fifth Na site, Na(5) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(3), one Tl(2), and two equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 12-coordinate geometry to one Na(1), one Na(2), two equivalent Na(4), two equivalent Na(5), three equivalent Na(3), one Tl(1), and two equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a 11-coordinate geometry to one Na(1), one Na(5), two equivalent Na(2), two equivalent Na(3), two equivalent Na(4), one Tl(2), and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_Na2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.232
_cell_length_b   8.232
_cell_length_c   11.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.858
_symmetry_Int_Tables_number   1
_cell_volume   710.150
_cell_formula_units_Z   8
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
  Na  Na0  1  0.070  0.930  0.000  1.0
  Na  Na1  1  0.930  0.070  0.500  1.0
  Na  Na2  1  0.592  0.592  0.250  1.0
  Na  Na3  1  0.408  0.408  0.750  1.0
  Na  Na4  1  0.493  0.902  0.422  1.0
  Na  Na5  1  0.507  0.098  0.922  1.0
  Na  Na6  1  0.902  0.493  0.078  1.0
  Na  Na7  1  0.098  0.507  0.578  1.0
  Na  Na8  1  0.402  0.157  0.210  1.0
  Na  Na9  1  0.598  0.843  0.710  1.0
  Na  Na10  1  0.157  0.402  0.290  1.0
  Na  Na11  1  0.843  0.598  0.790  1.0
  Na  Na12  1  0.778  0.044  0.168  1.0
  Na  Na13  1  0.222  0.956  0.668  1.0
  Na  Na14  1  0.044  0.778  0.332  1.0
  Na  Na15  1  0.956  0.222  0.832  1.0
  Tl  Tl16  1  0.333  0.765  0.134  1.0
  Tl  Tl17  1  0.667  0.235  0.634  1.0
  Tl  Tl18  1  0.765  0.333  0.366  1.0
  Tl  Tl19  1  0.235  0.667  0.866  1.0
  Tl  Tl20  1  0.726  0.631  0.526  1.0
  Tl  Tl21  1  0.274  0.369  0.026  1.0
  Tl  Tl22  1  0.631  0.726  0.974  1.0
  Tl  Tl23  1  0.369  0.274  0.474  1.0
[/CIF]
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The crystal structure described by Na2Tl crystallizes in the orthorhombic C222_1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent Na(3), two equivalent Tl(1), and two equivalent Tl(2) atoms. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to two equivalent Na(3), two equivalent Na(4), two equivalent Na(5), two equivalent Tl(1), and four equivalent Tl(2) atoms. In the third Na site, Na(3) is bonded in a 13-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), three equivalent Na(5), two equivalent Tl(2), and three equivalent Tl(1) atoms. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(3), two equivalent Tl(1), and two equivalent Tl(2) atoms. In the fifth Na site, Na(5) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(3), one Tl(2), and two equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 12-coordinate geometry to one Na(1), one Na(2), two equivalent Na(4), two equivalent Na(5), three equivalent Na(3), one Tl(1), and two equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a 11-coordinate geometry to one Na(1), one Na(5), two equivalent Na(2), two equivalent Na(3), two equivalent Na(4), one Tl(2), and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_Na2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.232
_cell_length_b   8.232
_cell_length_c   11.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.858
_symmetry_Int_Tables_number   1
_cell_volume   710.150
_cell_formula_units_Z   8
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
  Na  Na0  1  0.070  0.930  0.000  1.0
  Na  Na1  1  0.930  0.070  0.500  1.0
  Na  Na2  1  0.592  0.592  0.250  1.0
  Na  Na3  1  0.408  0.408  0.750  1.0
  Na  Na4  1  0.493  0.902  0.422  1.0
  Na  Na5  1  0.507  0.098  0.922  1.0
  Na  Na6  1  0.902  0.493  0.078  1.0
  Na  Na7  1  0.098  0.507  0.578  1.0
  Na  Na8  1  0.402  0.157  0.210  1.0
  Na  Na9  1  0.598  0.843  0.710  1.0
  Na  Na10  1  0.157  0.402  0.290  1.0
  Na  Na11  1  0.843  0.598  0.790  1.0
  Na  Na12  1  0.778  0.044  0.168  1.0
  Na  Na13  1  0.222  0.956  0.668  1.0
  Na  Na14  1  0.044  0.778  0.332  1.0
  Na  Na15  1  0.956  0.222  0.832  1.0
  Tl  Tl16  1  0.333  0.765  0.134  1.0
  Tl  Tl17  1  0.667  0.235  0.634  1.0
  Tl  Tl18  1  0.765  0.333  0.366  1.0
  Tl  Tl19  1  0.235  0.667  0.866  1.0
  Tl  Tl20  1  0.726  0.631  0.526  1.0
  Tl  Tl21  1  0.274  0.369  0.026  1.0
  Tl  Tl22  1  0.631  0.726  0.974  1.0
  Tl  Tl23  1  0.369  0.274  0.474  1.0
[/CIF]
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