The structure described by Pr4Ru3FeAs4O4 crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. In the third Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. In the fourth Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1,3) is bonded to four equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing RuAs4 tetrahedra. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent As(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1), two equivalent Ru(2), and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Pr(2) and four equivalent Ru(1,3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. is represented by the CIF card [CIF]
data_Pr4FeAs4Ru3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.120
_cell_length_b   4.120
_cell_length_c   17.385
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.091
_cell_formula_units_Z   1
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  0.500  0.000  0.183  1.0
  Pr  Pr1  1  0.500  0.000  0.680  1.0
  Pr  Pr2  1  0.000  0.500  0.817  1.0
  Pr  Pr3  1  0.000  0.500  0.320  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  As  As5  1  0.500  0.000  0.915  1.0
  As  As6  1  0.500  0.000  0.424  1.0
  As  As7  1  0.000  0.500  0.085  1.0
  As  As8  1  0.000  0.500  0.576  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  Ru  Ru10  1  0.000  0.000  0.000  1.0
  Ru  Ru11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.500  0.500  0.748  1.0
  O  O13  1  0.500  0.500  0.252  1.0
  O  O14  1  0.000  0.000  0.749  1.0
  O  O15  1  0.000  0.000  0.251  1.0
[/CIF]
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The structure described by Pr4Ru3FeAs4O4 crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. In the third Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. In the fourth Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1,3) is bonded to four equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing RuAs4 tetrahedra. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent As(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1), two equivalent Ru(2), and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Pr(2) and four equivalent Ru(1,3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. is represented by the CIF card [CIF]
data_Pr4FeAs4Ru3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.120
_cell_length_b   4.120
_cell_length_c   17.385
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.091
_cell_formula_units_Z   1
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  0.500  0.000  0.183  1.0
  Pr  Pr1  1  0.500  0.000  0.680  1.0
  Pr  Pr2  1  0.000  0.500  0.817  1.0
  Pr  Pr3  1  0.000  0.500  0.320  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  As  As5  1  0.500  0.000  0.915  1.0
  As  As6  1  0.500  0.000  0.424  1.0
  As  As7  1  0.000  0.500  0.085  1.0
  As  As8  1  0.000  0.500  0.576  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  Ru  Ru10  1  0.000  0.000  0.000  1.0
  Ru  Ru11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.500  0.500  0.748  1.0
  O  O13  1  0.500  0.500  0.252  1.0
  O  O14  1  0.000  0.000  0.749  1.0
  O  O15  1  0.000  0.000  0.251  1.0
[/CIF]
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