The material described by Tl7Sb2 crystallizes in the cubic Im-3m space group. The structure consists of a Tl7Sb2 framework. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(3) and three equivalent Sb(1) atoms. In the third Tl site, Tl(3) is bonded in a 14-coordinate geometry to eight equivalent Tl(2) and six equivalent Sb(1) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to one Tl(3), four equivalent Tl(1), and four equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl7Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.284
_cell_length_b   10.284
_cell_length_c   10.284
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   837.347
_cell_formula_units_Z   3
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  0.000  0.353  0.647  1.0
  Tl  Tl1  1  0.706  0.353  0.353  1.0
  Tl  Tl2  1  0.661  0.661  0.661  1.0
  Tl  Tl3  1  0.000  0.647  0.353  1.0
  Tl  Tl4  1  0.000  0.000  0.661  1.0
  Tl  Tl5  1  0.353  0.353  0.706  1.0
  Tl  Tl6  1  0.339  0.000  0.000  1.0
  Tl  Tl7  1  0.647  0.000  0.353  1.0
  Tl  Tl8  1  0.661  0.000  0.000  1.0
  Tl  Tl9  1  0.353  0.000  0.647  1.0
  Tl  Tl10  1  0.000  0.000  0.339  1.0
  Tl  Tl11  1  0.647  0.647  0.294  1.0
  Tl  Tl12  1  0.353  0.647  0.000  1.0
  Tl  Tl13  1  0.000  0.339  0.000  1.0
  Tl  Tl14  1  0.000  0.661  0.000  1.0
  Tl  Tl15  1  0.000  0.000  0.000  1.0
  Tl  Tl16  1  0.647  0.353  0.000  1.0
  Tl  Tl17  1  0.294  0.647  0.647  1.0
  Tl  Tl18  1  0.647  0.294  0.647  1.0
  Tl  Tl19  1  0.353  0.706  0.353  1.0
  Tl  Tl20  1  0.339  0.339  0.339  1.0
  Sb  Sb21  1  0.000  0.697  0.697  1.0
  Sb  Sb22  1  0.000  0.303  0.303  1.0
  Sb  Sb23  1  0.303  0.000  0.303  1.0
  Sb  Sb24  1  0.303  0.303  0.000  1.0
  Sb  Sb25  1  0.697  0.000  0.697  1.0
  Sb  Sb26  1  0.697  0.697  0.000  1.0
[/CIF]
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The material described by Tl7Sb2 crystallizes in the cubic Im-3m space group. The structure consists of a Tl7Sb2 framework. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(3) and three equivalent Sb(1) atoms. In the third Tl site, Tl(3) is bonded in a 14-coordinate geometry to eight equivalent Tl(2) and six equivalent Sb(1) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to one Tl(3), four equivalent Tl(1), and four equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl7Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.284
_cell_length_b   10.284
_cell_length_c   10.284
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   837.347
_cell_formula_units_Z   3
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  0.000  0.353  0.647  1.0
  Tl  Tl1  1  0.706  0.353  0.353  1.0
  Tl  Tl2  1  0.661  0.661  0.661  1.0
  Tl  Tl3  1  0.000  0.647  0.353  1.0
  Tl  Tl4  1  0.000  0.000  0.661  1.0
  Tl  Tl5  1  0.353  0.353  0.706  1.0
  Tl  Tl6  1  0.339  0.000  0.000  1.0
  Tl  Tl7  1  0.647  0.000  0.353  1.0
  Tl  Tl8  1  0.661  0.000  0.000  1.0
  Tl  Tl9  1  0.353  0.000  0.647  1.0
  Tl  Tl10  1  0.000  0.000  0.339  1.0
  Tl  Tl11  1  0.647  0.647  0.294  1.0
  Tl  Tl12  1  0.353  0.647  0.000  1.0
  Tl  Tl13  1  0.000  0.339  0.000  1.0
  Tl  Tl14  1  0.000  0.661  0.000  1.0
  Tl  Tl15  1  0.000  0.000  0.000  1.0
  Tl  Tl16  1  0.647  0.353  0.000  1.0
  Tl  Tl17  1  0.294  0.647  0.647  1.0
  Tl  Tl18  1  0.647  0.294  0.647  1.0
  Tl  Tl19  1  0.353  0.706  0.353  1.0
  Tl  Tl20  1  0.339  0.339  0.339  1.0
  Sb  Sb21  1  0.000  0.697  0.697  1.0
  Sb  Sb22  1  0.000  0.303  0.303  1.0
  Sb  Sb23  1  0.303  0.000  0.303  1.0
  Sb  Sb24  1  0.303  0.303  0.000  1.0
  Sb  Sb25  1  0.697  0.000  0.697  1.0
  Sb  Sb26  1  0.697  0.697  0.000  1.0
[/CIF]
.