The compound described by Th3Au4 crystallizes in the trigonal R-3 space group. Th(1) is bonded in a 9-coordinate geometry to one Au(1), one Au(2), and seven equivalent Au(3) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded to six equivalent Th(1) atoms to form distorted face-sharing AuTh6 octahedra. In the second Au site, Au(2) is bonded to six equivalent Th(1) atoms to form distorted face-sharing AuTh6 octahedra. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to seven equivalent Th(1) and three equivalent Au(3) atoms. is represented by the CIF card [CIF]
data_Th3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   8.243
_cell_length_c   8.245
_cell_angle_alpha   113.812
_cell_angle_beta   104.709
_cell_angle_gamma   104.726
_symmetry_Int_Tables_number   1
_cell_volume   345.874
_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
  Th  Th0  1  0.404  0.376  0.120  1.0
  Th  Th1  1  0.284  0.880  0.256  1.0
  Th  Th2  1  0.972  0.256  0.376  1.0
  Th  Th3  1  0.028  0.744  0.624  1.0
  Th  Th4  1  0.716  0.120  0.744  1.0
  Th  Th5  1  0.596  0.624  0.880  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.000  0.000  1.0
  Au  Au8  1  0.930  0.497  0.161  1.0
  Au  Au9  1  0.768  0.838  0.336  1.0
  Au  Au10  1  0.568  0.336  0.497  1.0
  Au  Au11  1  0.432  0.664  0.503  1.0
  Au  Au12  1  0.232  0.162  0.664  1.0
  Au  Au13  1  0.070  0.503  0.839  1.0
[/CIF]
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The compound described by Th3Au4 crystallizes in the trigonal R-3 space group. Th(1) is bonded in a 9-coordinate geometry to one Au(1), one Au(2), and seven equivalent Au(3) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded to six equivalent Th(1) atoms to form distorted face-sharing AuTh6 octahedra. In the second Au site, Au(2) is bonded to six equivalent Th(1) atoms to form distorted face-sharing AuTh6 octahedra. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to seven equivalent Th(1) and three equivalent Au(3) atoms. is represented by the CIF card [CIF]
data_Th3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   8.243
_cell_length_c   8.245
_cell_angle_alpha   113.812
_cell_angle_beta   104.709
_cell_angle_gamma   104.726
_symmetry_Int_Tables_number   1
_cell_volume   345.874
_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
  Th  Th0  1  0.404  0.376  0.120  1.0
  Th  Th1  1  0.284  0.880  0.256  1.0
  Th  Th2  1  0.972  0.256  0.376  1.0
  Th  Th3  1  0.028  0.744  0.624  1.0
  Th  Th4  1  0.716  0.120  0.744  1.0
  Th  Th5  1  0.596  0.624  0.880  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.000  0.000  1.0
  Au  Au8  1  0.930  0.497  0.161  1.0
  Au  Au9  1  0.768  0.838  0.336  1.0
  Au  Au10  1  0.568  0.336  0.497  1.0
  Au  Au11  1  0.432  0.664  0.503  1.0
  Au  Au12  1  0.232  0.162  0.664  1.0
  Au  Au13  1  0.070  0.503  0.839  1.0
[/CIF]
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