The structure described by Au3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent Tl(1) atoms to form distorted AuTl4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Tl4Au8 cuboctahedra. In the second Au site, Au(2) is bonded in a square co-planar geometry to eight equivalent Au(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form TlAu12 cuboctahedra that share corners with four equivalent Tl(1)Au12 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Tl4Au8 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Tl4Au8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.460
_cell_length_b   5.460
_cell_length_c   5.460
_cell_angle_alpha   134.689
_cell_angle_beta   134.689
_cell_angle_gamma   66.014
_symmetry_Int_Tables_number   1
_cell_volume   81.008
_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  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Au3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent Tl(1) atoms to form distorted AuTl4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Tl4Au8 cuboctahedra. In the second Au site, Au(2) is bonded in a square co-planar geometry to eight equivalent Au(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form TlAu12 cuboctahedra that share corners with four equivalent Tl(1)Au12 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Tl4Au8 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Tl4Au8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.460
_cell_length_b   5.460
_cell_length_c   5.460
_cell_angle_alpha   134.689
_cell_angle_beta   134.689
_cell_angle_gamma   66.014
_symmetry_Int_Tables_number   1
_cell_volume   81.008
_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  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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