The material structure described by Pr7Ir3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ir(1) atoms. In the second Pr site, Pr(3) is bonded in a distorted water-like geometry to two equivalent Ir(1) atoms. In the third Pr site, Pr(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Pr(1), two equivalent Pr(3), and three equivalent Pr(2) atoms. is represented by the CIF file [CIF]
data_Pr7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.196
_cell_length_b   10.196
_cell_length_c   6.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   580.455
_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
  Pr  Pr0  1  0.333  0.667  0.476  1.0
  Pr  Pr1  1  0.667  0.333  0.976  1.0
  Pr  Pr2  1  0.126  0.874  0.245  1.0
  Pr  Pr3  1  0.747  0.874  0.245  1.0
  Pr  Pr4  1  0.126  0.253  0.245  1.0
  Pr  Pr5  1  0.874  0.126  0.745  1.0
  Pr  Pr6  1  0.253  0.126  0.745  1.0
  Pr  Pr7  1  0.874  0.747  0.745  1.0
  Pr  Pr8  1  0.539  0.461  0.437  1.0
  Pr  Pr9  1  0.922  0.461  0.437  1.0
  Pr  Pr10  1  0.539  0.078  0.437  1.0
  Pr  Pr11  1  0.461  0.539  0.937  1.0
  Pr  Pr12  1  0.078  0.539  0.937  1.0
  Pr  Pr13  1  0.461  0.922  0.937  1.0
  Ir  Ir14  1  0.813  0.187  0.193  1.0
  Ir  Ir15  1  0.375  0.187  0.193  1.0
  Ir  Ir16  1  0.813  0.625  0.193  1.0
  Ir  Ir17  1  0.187  0.813  0.693  1.0
  Ir  Ir18  1  0.625  0.813  0.693  1.0
  Ir  Ir19  1  0.187  0.375  0.693  1.0
[/CIF]
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The material structure described by Pr7Ir3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ir(1) atoms. In the second Pr site, Pr(3) is bonded in a distorted water-like geometry to two equivalent Ir(1) atoms. In the third Pr site, Pr(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Pr(1), two equivalent Pr(3), and three equivalent Pr(2) atoms. is represented by the CIF file [CIF]
data_Pr7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.196
_cell_length_b   10.196
_cell_length_c   6.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   580.455
_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
  Pr  Pr0  1  0.333  0.667  0.476  1.0
  Pr  Pr1  1  0.667  0.333  0.976  1.0
  Pr  Pr2  1  0.126  0.874  0.245  1.0
  Pr  Pr3  1  0.747  0.874  0.245  1.0
  Pr  Pr4  1  0.126  0.253  0.245  1.0
  Pr  Pr5  1  0.874  0.126  0.745  1.0
  Pr  Pr6  1  0.253  0.126  0.745  1.0
  Pr  Pr7  1  0.874  0.747  0.745  1.0
  Pr  Pr8  1  0.539  0.461  0.437  1.0
  Pr  Pr9  1  0.922  0.461  0.437  1.0
  Pr  Pr10  1  0.539  0.078  0.437  1.0
  Pr  Pr11  1  0.461  0.539  0.937  1.0
  Pr  Pr12  1  0.078  0.539  0.937  1.0
  Pr  Pr13  1  0.461  0.922  0.937  1.0
  Ir  Ir14  1  0.813  0.187  0.193  1.0
  Ir  Ir15  1  0.375  0.187  0.193  1.0
  Ir  Ir16  1  0.813  0.625  0.193  1.0
  Ir  Ir17  1  0.187  0.813  0.693  1.0
  Ir  Ir18  1  0.625  0.813  0.693  1.0
  Ir  Ir19  1  0.187  0.375  0.693  1.0
[/CIF]
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