The material structure described by Na4AuTl crystallizes in the orthorhombic Fmmm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to four equivalent Au(1) and one Tl(1) atom. In the second Na site, Na(2) is bonded in a 11-coordinate geometry to two equivalent Na(3), three equivalent Na(2), and six equivalent Tl(1) atoms. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one Na(2), two equivalent Au(1), and three equivalent Tl(1) atoms. Au(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), four equivalent Na(3), and two equivalent Au(1) atoms. Tl(1) is bonded in a 14-coordinate geometry to one Na(1), six equivalent Na(2), six equivalent Na(3), and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4TlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.926
_cell_length_b   12.217
_cell_length_c   5.759
_cell_angle_alpha   83.745
_cell_angle_beta   69.970
_cell_angle_gamma   26.286
_symmetry_Int_Tables_number   1
_cell_volume   332.713
_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
  Na  Na0  1  0.205  0.205  0.795  1.0
  Na  Na1  1  0.664  0.336  0.664  1.0
  Na  Na2  1  0.471  0.805  0.195  1.0
  Na  Na3  1  0.529  0.195  0.805  1.0
  Na  Na4  1  0.195  0.529  0.471  1.0
  Na  Na5  1  0.805  0.471  0.529  1.0
  Na  Na6  1  0.795  0.795  0.205  1.0
  Na  Na7  1  0.336  0.664  0.336  1.0
  Tl  Tl8  1  0.066  0.066  0.934  1.0
  Tl  Tl9  1  0.934  0.934  0.066  1.0
  Au  Au10  1  0.250  0.250  0.250  1.0
  Au  Au11  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by Na4AuTl crystallizes in the orthorhombic Fmmm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to four equivalent Au(1) and one Tl(1) atom. In the second Na site, Na(2) is bonded in a 11-coordinate geometry to two equivalent Na(3), three equivalent Na(2), and six equivalent Tl(1) atoms. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one Na(2), two equivalent Au(1), and three equivalent Tl(1) atoms. Au(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), four equivalent Na(3), and two equivalent Au(1) atoms. Tl(1) is bonded in a 14-coordinate geometry to one Na(1), six equivalent Na(2), six equivalent Na(3), and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4TlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.926
_cell_length_b   12.217
_cell_length_c   5.759
_cell_angle_alpha   83.745
_cell_angle_beta   69.970
_cell_angle_gamma   26.286
_symmetry_Int_Tables_number   1
_cell_volume   332.713
_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
  Na  Na0  1  0.205  0.205  0.795  1.0
  Na  Na1  1  0.664  0.336  0.664  1.0
  Na  Na2  1  0.471  0.805  0.195  1.0
  Na  Na3  1  0.529  0.195  0.805  1.0
  Na  Na4  1  0.195  0.529  0.471  1.0
  Na  Na5  1  0.805  0.471  0.529  1.0
  Na  Na6  1  0.795  0.795  0.205  1.0
  Na  Na7  1  0.336  0.664  0.336  1.0
  Tl  Tl8  1  0.066  0.066  0.934  1.0
  Tl  Tl9  1  0.934  0.934  0.066  1.0
  Au  Au10  1  0.250  0.250  0.250  1.0
  Au  Au11  1  0.750  0.750  0.750  1.0
[/CIF]
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