The crystal structure described by Tl2(CdSb)3 is alpha Pu-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent Tl(1), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded to one Sb(1), one Sb(2), and two equivalent Sb(3) atoms to form corner-sharing CdSb4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent Cd(2) and two equivalent Sb(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Cd(2), one Cd(3), two equivalent Cd(1), one Tl(2), and two equivalent Tl(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Tl(2) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Cd(2), two equivalent Cd(3), and one Sb(3) atom. is represented by the CIF card [CIF]
data_Tl2(CdSb)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   9.083
_cell_length_c   12.015
_cell_angle_alpha   68.074
_cell_angle_beta   68.074
_cell_angle_gamma   31.604
_symmetry_Int_Tables_number   1
_cell_volume   478.742
_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
  Tl  Tl0  1  0.689  0.689  0.611  1.0
  Tl  Tl1  1  0.311  0.311  0.389  1.0
  Tl  Tl2  1  0.177  0.177  0.112  1.0
  Tl  Tl3  1  0.823  0.823  0.888  1.0
  Cd  Cd4  1  0.607  0.607  0.929  1.0
  Cd  Cd5  1  0.393  0.393  0.071  1.0
  Cd  Cd6  1  0.945  0.945  0.274  1.0
  Cd  Cd7  1  0.055  0.055  0.726  1.0
  Cd  Cd8  1  0.633  0.633  0.340  1.0
  Cd  Cd9  1  0.367  0.367  0.660  1.0
  Sb  Sb10  1  0.809  0.809  0.186  1.0
  Sb  Sb11  1  0.191  0.191  0.814  1.0
  Sb  Sb12  1  0.467  0.467  0.814  1.0
  Sb  Sb13  1  0.533  0.533  0.186  1.0
  Sb  Sb14  1  0.087  0.087  0.471  1.0
  Sb  Sb15  1  0.913  0.913  0.529  1.0
[/CIF]
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The crystal structure described by Tl2(CdSb)3 is alpha Pu-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent Tl(1), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded to one Sb(1), one Sb(2), and two equivalent Sb(3) atoms to form corner-sharing CdSb4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent Cd(2) and two equivalent Sb(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Cd(2), one Cd(3), two equivalent Cd(1), one Tl(2), and two equivalent Tl(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Tl(2) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Cd(2), two equivalent Cd(3), and one Sb(3) atom. is represented by the CIF card [CIF]
data_Tl2(CdSb)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   9.083
_cell_length_c   12.015
_cell_angle_alpha   68.074
_cell_angle_beta   68.074
_cell_angle_gamma   31.604
_symmetry_Int_Tables_number   1
_cell_volume   478.742
_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
  Tl  Tl0  1  0.689  0.689  0.611  1.0
  Tl  Tl1  1  0.311  0.311  0.389  1.0
  Tl  Tl2  1  0.177  0.177  0.112  1.0
  Tl  Tl3  1  0.823  0.823  0.888  1.0
  Cd  Cd4  1  0.607  0.607  0.929  1.0
  Cd  Cd5  1  0.393  0.393  0.071  1.0
  Cd  Cd6  1  0.945  0.945  0.274  1.0
  Cd  Cd7  1  0.055  0.055  0.726  1.0
  Cd  Cd8  1  0.633  0.633  0.340  1.0
  Cd  Cd9  1  0.367  0.367  0.660  1.0
  Sb  Sb10  1  0.809  0.809  0.186  1.0
  Sb  Sb11  1  0.191  0.191  0.814  1.0
  Sb  Sb12  1  0.467  0.467  0.814  1.0
  Sb  Sb13  1  0.533  0.533  0.186  1.0
  Sb  Sb14  1  0.087  0.087  0.471  1.0
  Sb  Sb15  1  0.913  0.913  0.529  1.0
[/CIF]
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