The crystal structure described by ThTl crystallizes in the orthorhombic Pbcm space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent Th(1), two equivalent Tl(3), and four equivalent Tl(2) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to one Tl(3), two equivalent Tl(1), and four equivalent Tl(2) atoms. In the third Th site, Th(3) is bonded in a 9-coordinate geometry to one Tl(2), four equivalent Tl(1), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Th(2), four equivalent Th(3), two equivalent Tl(1), and two equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to one Th(3), four equivalent Th(1), and four equivalent Th(2) atoms. In the third Tl site, Tl(3) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), four equivalent Th(3), and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_ThTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   9.996
_cell_length_c   10.897
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   717.390
_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
  Th  Th0  1  0.000  0.750  0.390  1.0
  Th  Th1  1  0.500  0.250  0.610  1.0
  Th  Th2  1  0.000  0.250  0.610  1.0
  Th  Th3  1  0.500  0.750  0.390  1.0
  Th  Th4  1  0.750  0.628  0.689  1.0
  Th  Th5  1  0.250  0.372  0.311  1.0
  Th  Th6  1  0.750  0.128  0.311  1.0
  Th  Th7  1  0.250  0.872  0.689  1.0
  Th  Th8  1  0.750  0.534  0.113  1.0
  Th  Th9  1  0.250  0.466  0.887  1.0
  Th  Th10  1  0.750  0.034  0.887  1.0
  Th  Th11  1  0.250  0.966  0.113  1.0
  Tl  Tl12  1  0.000  0.750  0.925  1.0
  Tl  Tl13  1  0.500  0.250  0.075  1.0
  Tl  Tl14  1  0.000  0.250  0.075  1.0
  Tl  Tl15  1  0.500  0.750  0.925  1.0
  Tl  Tl16  1  0.750  0.946  0.596  1.0
  Tl  Tl17  1  0.250  0.054  0.404  1.0
  Tl  Tl18  1  0.750  0.446  0.404  1.0
  Tl  Tl19  1  0.250  0.554  0.596  1.0
  Tl  Tl20  1  0.750  0.869  0.148  1.0
  Tl  Tl21  1  0.250  0.131  0.852  1.0
  Tl  Tl22  1  0.750  0.369  0.852  1.0
  Tl  Tl23  1  0.250  0.631  0.148  1.0
[/CIF]
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The crystal structure described by ThTl crystallizes in the orthorhombic Pbcm space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent Th(1), two equivalent Tl(3), and four equivalent Tl(2) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to one Tl(3), two equivalent Tl(1), and four equivalent Tl(2) atoms. In the third Th site, Th(3) is bonded in a 9-coordinate geometry to one Tl(2), four equivalent Tl(1), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Th(2), four equivalent Th(3), two equivalent Tl(1), and two equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to one Th(3), four equivalent Th(1), and four equivalent Th(2) atoms. In the third Tl site, Tl(3) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), four equivalent Th(3), and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_ThTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   9.996
_cell_length_c   10.897
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   717.390
_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
  Th  Th0  1  0.000  0.750  0.390  1.0
  Th  Th1  1  0.500  0.250  0.610  1.0
  Th  Th2  1  0.000  0.250  0.610  1.0
  Th  Th3  1  0.500  0.750  0.390  1.0
  Th  Th4  1  0.750  0.628  0.689  1.0
  Th  Th5  1  0.250  0.372  0.311  1.0
  Th  Th6  1  0.750  0.128  0.311  1.0
  Th  Th7  1  0.250  0.872  0.689  1.0
  Th  Th8  1  0.750  0.534  0.113  1.0
  Th  Th9  1  0.250  0.466  0.887  1.0
  Th  Th10  1  0.750  0.034  0.887  1.0
  Th  Th11  1  0.250  0.966  0.113  1.0
  Tl  Tl12  1  0.000  0.750  0.925  1.0
  Tl  Tl13  1  0.500  0.250  0.075  1.0
  Tl  Tl14  1  0.000  0.250  0.075  1.0
  Tl  Tl15  1  0.500  0.750  0.925  1.0
  Tl  Tl16  1  0.750  0.946  0.596  1.0
  Tl  Tl17  1  0.250  0.054  0.404  1.0
  Tl  Tl18  1  0.750  0.446  0.404  1.0
  Tl  Tl19  1  0.250  0.554  0.596  1.0
  Tl  Tl20  1  0.750  0.869  0.148  1.0
  Tl  Tl21  1  0.250  0.131  0.852  1.0
  Tl  Tl22  1  0.750  0.369  0.852  1.0
  Tl  Tl23  1  0.250  0.631  0.148  1.0
[/CIF]
.