The compound described by Th3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Th site, Th(2) is bonded in a 10-coordinate geometry to two equivalent Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 11-coordinate geometry to one Th(1), four equivalent Th(2), two equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one Tl(1), one Tl(2), and two equivalent Tl(3) atoms. In the third Tl site, Tl(3) is bonded in a 10-coordinate geometry to two equivalent Th(1), four equivalent Th(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.737
_cell_length_b   6.737
_cell_length_c   10.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.289
_symmetry_Int_Tables_number   1
_cell_volume   464.056
_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
  Th  Th0  1  0.614  0.614  0.250  1.0
  Th  Th1  1  0.386  0.386  0.750  1.0
  Th  Th2  1  0.794  0.206  0.500  1.0
  Th  Th3  1  0.794  0.206  0.000  1.0
  Th  Th4  1  0.206  0.794  0.500  1.0
  Th  Th5  1  0.206  0.794  0.000  1.0
  Tl  Tl6  1  0.005  0.005  0.250  1.0
  Tl  Tl7  1  0.995  0.995  0.750  1.0
  Tl  Tl8  1  0.299  0.299  0.045  1.0
  Tl  Tl9  1  0.701  0.701  0.955  1.0
  Tl  Tl10  1  0.299  0.299  0.455  1.0
  Tl  Tl11  1  0.701  0.701  0.545  1.0
  Tl  Tl12  1  0.056  0.501  0.250  1.0
  Tl  Tl13  1  0.499  0.944  0.750  1.0
  Tl  Tl14  1  0.944  0.499  0.750  1.0
  Tl  Tl15  1  0.501  0.056  0.250  1.0
[/CIF]
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The compound described by Th3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Th site, Th(2) is bonded in a 10-coordinate geometry to two equivalent Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 11-coordinate geometry to one Th(1), four equivalent Th(2), two equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one Tl(1), one Tl(2), and two equivalent Tl(3) atoms. In the third Tl site, Tl(3) is bonded in a 10-coordinate geometry to two equivalent Th(1), four equivalent Th(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.737
_cell_length_b   6.737
_cell_length_c   10.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.289
_symmetry_Int_Tables_number   1
_cell_volume   464.056
_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
  Th  Th0  1  0.614  0.614  0.250  1.0
  Th  Th1  1  0.386  0.386  0.750  1.0
  Th  Th2  1  0.794  0.206  0.500  1.0
  Th  Th3  1  0.794  0.206  0.000  1.0
  Th  Th4  1  0.206  0.794  0.500  1.0
  Th  Th5  1  0.206  0.794  0.000  1.0
  Tl  Tl6  1  0.005  0.005  0.250  1.0
  Tl  Tl7  1  0.995  0.995  0.750  1.0
  Tl  Tl8  1  0.299  0.299  0.045  1.0
  Tl  Tl9  1  0.701  0.701  0.955  1.0
  Tl  Tl10  1  0.299  0.299  0.455  1.0
  Tl  Tl11  1  0.701  0.701  0.545  1.0
  Tl  Tl12  1  0.056  0.501  0.250  1.0
  Tl  Tl13  1  0.499  0.944  0.750  1.0
  Tl  Tl14  1  0.944  0.499  0.750  1.0
  Tl  Tl15  1  0.501  0.056  0.250  1.0
[/CIF]
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