The structure described by Nd5Fe5As5O4F crystallizes in the triclinic P-1 space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), two equivalent O(2), and one F(1) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(4), one As(5), one O(1), one O(2), one O(3), and one O(4) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one As(1), one As(3), one As(4), one As(5), one O(4), two equivalent O(3), and one F(1) atom. In the fourth Nd site, Nd(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(5), one O(3), two equivalent O(1), and one F(1) atom. In the fifth Nd site, Nd(5) is bonded in a 4-coordinate geometry to one As(2), one As(3), one As(4), one As(5), one O(2), two equivalent O(4), and one F(1) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(4), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(2), one As(3), and one As(5) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(3), one As(4), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(4), one As(5), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one As(2), one As(4), and two equivalent As(5) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(4), one Nd(5), one Fe(2), one Fe(5), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(3), and two equivalent Fe(4) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(5), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(5) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(4) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the second O site, O(2) is bonded to one Nd(2), one Nd(5), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(4), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(5) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. F(1) is bonded to one Nd(1), one Nd(3), one Nd(4), and one Nd(5) atom to form FNd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5Fe5As5O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.076
_cell_length_b   9.092
_cell_length_c   9.978
_cell_angle_alpha   111.345
_cell_angle_beta   100.507
_cell_angle_gamma   90.130
_symmetry_Int_Tables_number   1
_cell_volume   751.918
_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
  Nd  Nd0  1  0.487  0.198  0.139  1.0
  Nd  Nd1  1  0.278  0.802  0.131  1.0
  Nd  Nd2  1  0.513  0.802  0.861  1.0
  Nd  Nd3  1  0.069  0.412  0.137  1.0
  Nd  Nd4  1  0.330  0.403  0.860  1.0
  Nd  Nd5  1  0.885  0.015  0.138  1.0
  Nd  Nd6  1  0.115  0.985  0.862  1.0
  Nd  Nd7  1  0.670  0.597  0.140  1.0
  Nd  Nd8  1  0.931  0.588  0.863  1.0
  Nd  Nd9  1  0.722  0.198  0.869  1.0
  Fe  Fe10  1  0.448  0.150  0.498  1.0
  Fe  Fe11  1  0.552  0.850  0.502  1.0
  Fe  Fe12  1  0.248  0.748  0.498  1.0
  Fe  Fe13  1  0.352  0.449  0.501  1.0
  Fe  Fe14  1  0.054  0.350  0.501  1.0
  Fe  Fe15  1  0.149  0.051  0.497  1.0
  Fe  Fe16  1  0.851  0.949  0.503  1.0
  Fe  Fe17  1  0.946  0.650  0.499  1.0
  Fe  Fe18  1  0.648  0.551  0.499  1.0
  Fe  Fe19  1  0.752  0.252  0.502  1.0
  As  As20  1  0.589  0.425  0.684  1.0
  As  As21  1  0.383  0.023  0.680  1.0
  As  As22  1  0.411  0.575  0.316  1.0
  As  As23  1  0.185  0.624  0.682  1.0
  As  As24  1  0.214  0.179  0.313  1.0
  As  As25  1  0.988  0.222  0.683  1.0
  As  As26  1  0.012  0.778  0.317  1.0
  As  As27  1  0.786  0.821  0.687  1.0
  As  As28  1  0.815  0.376  0.318  1.0
  As  As29  1  0.617  0.977  0.320  1.0
  O  O30  1  0.545  0.347  0.002  1.0
  O  O31  1  0.347  0.954  0.999  1.0
  O  O32  1  0.455  0.653  0.998  1.0
  O  O33  1  0.154  0.544  0.998  1.0
  O  O34  1  0.954  0.154  1.000  1.0
  O  O35  1  0.046  0.846  0.000  1.0
  O  O36  1  0.846  0.456  0.002  1.0
  O  O37  1  0.653  0.046  0.001  1.0
  F  F38  1  0.250  0.249  0.998  1.0
  F  F39  1  0.750  0.751  0.002  1.0
[/CIF]
.
The structure described by Nd5Fe5As5O4F crystallizes in the triclinic P-1 space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), two equivalent O(2), and one F(1) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(4), one As(5), one O(1), one O(2), one O(3), and one O(4) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one As(1), one As(3), one As(4), one As(5), one O(4), two equivalent O(3), and one F(1) atom. In the fourth Nd site, Nd(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(5), one O(3), two equivalent O(1), and one F(1) atom. In the fifth Nd site, Nd(5) is bonded in a 4-coordinate geometry to one As(2), one As(3), one As(4), one As(5), one O(2), two equivalent O(4), and one F(1) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(4), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(2), one As(3), and one As(5) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(3), one As(4), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(4), one As(5), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one As(2), one As(4), and two equivalent As(5) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(4), one Nd(5), one Fe(2), one Fe(5), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(3), and two equivalent Fe(4) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(5), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(5) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(4) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the second O site, O(2) is bonded to one Nd(2), one Nd(5), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(4), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(5) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. F(1) is bonded to one Nd(1), one Nd(3), one Nd(4), and one Nd(5) atom to form FNd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5Fe5As5O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.076
_cell_length_b   9.092
_cell_length_c   9.978
_cell_angle_alpha   111.345
_cell_angle_beta   100.507
_cell_angle_gamma   90.130
_symmetry_Int_Tables_number   1
_cell_volume   751.918
_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
  Nd  Nd0  1  0.487  0.198  0.139  1.0
  Nd  Nd1  1  0.278  0.802  0.131  1.0
  Nd  Nd2  1  0.513  0.802  0.861  1.0
  Nd  Nd3  1  0.069  0.412  0.137  1.0
  Nd  Nd4  1  0.330  0.403  0.860  1.0
  Nd  Nd5  1  0.885  0.015  0.138  1.0
  Nd  Nd6  1  0.115  0.985  0.862  1.0
  Nd  Nd7  1  0.670  0.597  0.140  1.0
  Nd  Nd8  1  0.931  0.588  0.863  1.0
  Nd  Nd9  1  0.722  0.198  0.869  1.0
  Fe  Fe10  1  0.448  0.150  0.498  1.0
  Fe  Fe11  1  0.552  0.850  0.502  1.0
  Fe  Fe12  1  0.248  0.748  0.498  1.0
  Fe  Fe13  1  0.352  0.449  0.501  1.0
  Fe  Fe14  1  0.054  0.350  0.501  1.0
  Fe  Fe15  1  0.149  0.051  0.497  1.0
  Fe  Fe16  1  0.851  0.949  0.503  1.0
  Fe  Fe17  1  0.946  0.650  0.499  1.0
  Fe  Fe18  1  0.648  0.551  0.499  1.0
  Fe  Fe19  1  0.752  0.252  0.502  1.0
  As  As20  1  0.589  0.425  0.684  1.0
  As  As21  1  0.383  0.023  0.680  1.0
  As  As22  1  0.411  0.575  0.316  1.0
  As  As23  1  0.185  0.624  0.682  1.0
  As  As24  1  0.214  0.179  0.313  1.0
  As  As25  1  0.988  0.222  0.683  1.0
  As  As26  1  0.012  0.778  0.317  1.0
  As  As27  1  0.786  0.821  0.687  1.0
  As  As28  1  0.815  0.376  0.318  1.0
  As  As29  1  0.617  0.977  0.320  1.0
  O  O30  1  0.545  0.347  0.002  1.0
  O  O31  1  0.347  0.954  0.999  1.0
  O  O32  1  0.455  0.653  0.998  1.0
  O  O33  1  0.154  0.544  0.998  1.0
  O  O34  1  0.954  0.154  1.000  1.0
  O  O35  1  0.046  0.846  0.000  1.0
  O  O36  1  0.846  0.456  0.002  1.0
  O  O37  1  0.653  0.046  0.001  1.0
  F  F38  1  0.250  0.249  0.998  1.0
  F  F39  1  0.750  0.751  0.002  1.0
[/CIF]
.