The material described by PrFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Fe(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Fe(1) atoms. O(1) is bonded to four equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. is represented by the CIF card [CIF]
data_PrFeAsO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.095
_cell_length_b   4.095
_cell_length_c   9.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.251
_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  0.000  0.500  0.871  1.0
  Pr  Pr1  1  0.500  0.000  0.129  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  As  As4  1  0.000  0.500  0.323  1.0
  As  As5  1  0.500  0.000  0.677  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material described by PrFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Fe(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Fe(1) atoms. O(1) is bonded to four equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. is represented by the CIF card [CIF]
data_PrFeAsO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.095
_cell_length_b   4.095
_cell_length_c   9.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.251
_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  0.000  0.500  0.871  1.0
  Pr  Pr1  1  0.500  0.000  0.129  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  As  As4  1  0.000  0.500  0.323  1.0
  As  As5  1  0.500  0.000  0.677  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
[/CIF]
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