The compound described by Th3Bi4 crystallizes in the cubic I-43d space group. Th(1) is bonded to eight equivalent Bi(1) atoms to form a mixture of distorted corner, edge, and face-sharing ThBi8 hexagonal bipyramids. Bi(1) is bonded to six equivalent Th(1) atoms to form a mixture of distorted corner, edge, and face-sharing BiTh6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. is represented by the CIF card [CIF]
data_Th3Bi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.375
_cell_length_b   8.375
_cell_length_c   8.375
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   452.264
_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  0.625  0.375  0.250  1.0
  Th  Th1  1  0.250  0.625  0.375  1.0
  Th  Th2  1  0.750  0.875  0.125  1.0
  Th  Th3  1  0.125  0.750  0.875  1.0
  Th  Th4  1  0.375  0.250  0.625  1.0
  Th  Th5  1  0.875  0.125  0.750  1.0
  Bi  Bi6  1  0.158  0.158  0.158  1.0
  Bi  Bi7  1  0.500  0.000  0.842  1.0
  Bi  Bi8  1  0.842  0.500  0.000  1.0
  Bi  Bi9  1  0.000  0.842  0.500  1.0
  Bi  Bi10  1  0.342  0.500  0.000  1.0
  Bi  Bi11  1  0.000  0.342  0.500  1.0
  Bi  Bi12  1  0.500  0.000  0.342  1.0
  Bi  Bi13  1  0.658  0.658  0.658  1.0
[/CIF]
.
The compound described by Th3Bi4 crystallizes in the cubic I-43d space group. Th(1) is bonded to eight equivalent Bi(1) atoms to form a mixture of distorted corner, edge, and face-sharing ThBi8 hexagonal bipyramids. Bi(1) is bonded to six equivalent Th(1) atoms to form a mixture of distorted corner, edge, and face-sharing BiTh6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. is represented by the CIF card [CIF]
data_Th3Bi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.375
_cell_length_b   8.375
_cell_length_c   8.375
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   452.264
_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  0.625  0.375  0.250  1.0
  Th  Th1  1  0.250  0.625  0.375  1.0
  Th  Th2  1  0.750  0.875  0.125  1.0
  Th  Th3  1  0.125  0.750  0.875  1.0
  Th  Th4  1  0.375  0.250  0.625  1.0
  Th  Th5  1  0.875  0.125  0.750  1.0
  Bi  Bi6  1  0.158  0.158  0.158  1.0
  Bi  Bi7  1  0.500  0.000  0.842  1.0
  Bi  Bi8  1  0.842  0.500  0.000  1.0
  Bi  Bi9  1  0.000  0.842  0.500  1.0
  Bi  Bi10  1  0.342  0.500  0.000  1.0
  Bi  Bi11  1  0.000  0.342  0.500  1.0
  Bi  Bi12  1  0.500  0.000  0.342  1.0
  Bi  Bi13  1  0.658  0.658  0.658  1.0
[/CIF]
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