The structure described by Th7Ir3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a distorted water-like geometry to two equivalent Ir(1) atoms. In the second Th site, Th(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. In the third Th site, Th(3) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Th(3), two equivalent Th(1), and three equivalent Th(2) atoms. is represented by the CIF card [CIF]
data_Th7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.066
_cell_length_b   10.066
_cell_length_c   6.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   555.500
_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  0.458  0.542  0.295  1.0
  Th  Th1  1  0.084  0.542  0.295  1.0
  Th  Th2  1  0.916  0.458  0.795  1.0
  Th  Th3  1  0.256  0.128  0.499  1.0
  Th  Th4  1  0.542  0.084  0.795  1.0
  Th  Th5  1  0.744  0.872  0.999  1.0
  Th  Th6  1  0.667  0.333  0.304  1.0
  Th  Th7  1  0.128  0.872  0.999  1.0
  Th  Th8  1  0.458  0.916  0.295  1.0
  Th  Th9  1  0.542  0.458  0.795  1.0
  Th  Th10  1  0.872  0.128  0.499  1.0
  Th  Th11  1  0.128  0.256  0.999  1.0
  Th  Th12  1  0.872  0.744  0.499  1.0
  Th  Th13  1  0.333  0.667  0.804  1.0
  Ir  Ir14  1  0.813  0.626  0.052  1.0
  Ir  Ir15  1  0.813  0.187  0.052  1.0
  Ir  Ir16  1  0.626  0.813  0.552  1.0
  Ir  Ir17  1  0.374  0.187  0.052  1.0
  Ir  Ir18  1  0.187  0.374  0.552  1.0
  Ir  Ir19  1  0.187  0.813  0.552  1.0
[/CIF]
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The structure described by Th7Ir3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a distorted water-like geometry to two equivalent Ir(1) atoms. In the second Th site, Th(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. In the third Th site, Th(3) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Th(3), two equivalent Th(1), and three equivalent Th(2) atoms. is represented by the CIF card [CIF]
data_Th7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.066
_cell_length_b   10.066
_cell_length_c   6.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   555.500
_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  0.458  0.542  0.295  1.0
  Th  Th1  1  0.084  0.542  0.295  1.0
  Th  Th2  1  0.916  0.458  0.795  1.0
  Th  Th3  1  0.256  0.128  0.499  1.0
  Th  Th4  1  0.542  0.084  0.795  1.0
  Th  Th5  1  0.744  0.872  0.999  1.0
  Th  Th6  1  0.667  0.333  0.304  1.0
  Th  Th7  1  0.128  0.872  0.999  1.0
  Th  Th8  1  0.458  0.916  0.295  1.0
  Th  Th9  1  0.542  0.458  0.795  1.0
  Th  Th10  1  0.872  0.128  0.499  1.0
  Th  Th11  1  0.128  0.256  0.999  1.0
  Th  Th12  1  0.872  0.744  0.499  1.0
  Th  Th13  1  0.333  0.667  0.804  1.0
  Ir  Ir14  1  0.813  0.626  0.052  1.0
  Ir  Ir15  1  0.813  0.187  0.052  1.0
  Ir  Ir16  1  0.626  0.813  0.552  1.0
  Ir  Ir17  1  0.374  0.187  0.052  1.0
  Ir  Ir18  1  0.187  0.374  0.552  1.0
  Ir  Ir19  1  0.187  0.813  0.552  1.0
[/CIF]
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