The material structure described by Tl4Sn crystallizes in the trigonal R-3m space group. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to three equivalent Tl(2), six equivalent Tl(1), and three equivalent Sn(1) atoms to form distorted TlTl9Sn3 cuboctahedra that share corners with three equivalent Tl(2)Tl12 cuboctahedra; corners with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with nine Tl(2,2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; faces with six equivalent Tl(2)Tl12 cuboctahedra; and faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra. In the second Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the third Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the fourth Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the fifth Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the sixth Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. Sn(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_Tl4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.281
_cell_length_b   14.281
_cell_length_c   14.281
_cell_angle_alpha   13.965
_cell_angle_beta   13.965
_cell_angle_gamma   13.965
_symmetry_Int_Tables_number   1
_cell_volume   147.626
_cell_formula_units_Z   1
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  0.602  0.602  0.602  1.0
  Tl  Tl1  1  0.201  0.201  0.201  1.0
  Tl  Tl2  1  0.799  0.799  0.799  1.0
  Tl  Tl3  1  0.398  0.398  0.398  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Tl4Sn crystallizes in the trigonal R-3m space group. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to three equivalent Tl(2), six equivalent Tl(1), and three equivalent Sn(1) atoms to form distorted TlTl9Sn3 cuboctahedra that share corners with three equivalent Tl(2)Tl12 cuboctahedra; corners with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with nine Tl(2,2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; faces with six equivalent Tl(2)Tl12 cuboctahedra; and faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra. In the second Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the third Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the fourth Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the fifth Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. In the sixth Tl site, Tl(2) is bonded to three equivalent Tl(1) and nine Tl(2,2) atoms to form TlTl12 cuboctahedra that share corners with three equivalent Tl(1)Tl9Sn3 cuboctahedra; corners with six equivalent Tl(2)Tl12 cuboctahedra; edges with nine equivalent Tl(1)Tl9Sn3 cuboctahedra; edges with twelve Tl(2,2)Tl12 cuboctahedra; faces with six equivalent Tl(1)Tl9Sn3 cuboctahedra; and faces with twelve Tl(2,2)Tl12 cuboctahedra. Sn(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_Tl4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.281
_cell_length_b   14.281
_cell_length_c   14.281
_cell_angle_alpha   13.965
_cell_angle_beta   13.965
_cell_angle_gamma   13.965
_symmetry_Int_Tables_number   1
_cell_volume   147.626
_cell_formula_units_Z   1
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  0.602  0.602  0.602  1.0
  Tl  Tl1  1  0.201  0.201  0.201  1.0
  Tl  Tl2  1  0.799  0.799  0.799  1.0
  Tl  Tl3  1  0.398  0.398  0.398  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
[/CIF]
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