The material structure described by PrIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six Ir(1,1) and six equivalent P(1) atoms to form a mixture of face and edge-sharing PrP6Ir6 cuboctahedra. In the second Pr site, Pr(1) is bonded to six equivalent Ir(1) and six equivalent P(1) atoms to form a mixture of face and edge-sharing PrP6Ir6 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent P(1) atoms. In the second Ir site, Ir(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ir(1,1) atoms. is represented by the CIF card [CIF]
data_PrPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.139
_cell_length_b   4.139
_cell_length_c   7.669
_cell_angle_alpha   105.655
_cell_angle_beta   105.655
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.401
_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  0.751  0.251  0.502  1.0
  Pr  Pr1  1  0.001  0.001  0.002  1.0
  P  P2  1  0.330  0.830  0.660  1.0
  P  P3  1  0.580  0.580  0.160  1.0
  Ir  Ir4  1  0.412  0.412  0.824  1.0
  Ir  Ir5  1  0.162  0.662  0.324  1.0
[/CIF]
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The material structure described by PrIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six Ir(1,1) and six equivalent P(1) atoms to form a mixture of face and edge-sharing PrP6Ir6 cuboctahedra. In the second Pr site, Pr(1) is bonded to six equivalent Ir(1) and six equivalent P(1) atoms to form a mixture of face and edge-sharing PrP6Ir6 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent P(1) atoms. In the second Ir site, Ir(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ir(1,1) atoms. is represented by the CIF card [CIF]
data_PrPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.139
_cell_length_b   4.139
_cell_length_c   7.669
_cell_angle_alpha   105.655
_cell_angle_beta   105.655
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.401
_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  0.751  0.251  0.502  1.0
  Pr  Pr1  1  0.001  0.001  0.002  1.0
  P  P2  1  0.330  0.830  0.660  1.0
  P  P3  1  0.580  0.580  0.160  1.0
  Ir  Ir4  1  0.412  0.412  0.824  1.0
  Ir  Ir5  1  0.162  0.662  0.324  1.0
[/CIF]
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