The structure described by Na4FeO5 crystallizes in the tetragonal P4 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(5), one O(7), and three equivalent O(8) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Na(4)O6 octahedra,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 11-24°. In the second Na site, Na(2) is bonded to one O(2), one O(6), one O(8), and three equivalent O(5) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-27°. In the third Na site, Na(3) is bonded to one O(3), one O(5), one O(7), and three equivalent O(6) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(3)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with three equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-27°. In the fourth Na site, Na(4) is bonded to one O(4), one O(6), one O(8), and three equivalent O(7) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with three equivalent Na(4)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Na(4)O6 octahedra,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 12-24°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and four equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), and four equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Na(3)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid, edges with four equivalent Na(2)O6 octahedra, edges with four equivalent Na(3)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Fe site, Fe(3) is bonded to one O(1) and four equivalent O(7) atoms to form FeO5 square pyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. In the fourth Fe site, Fe(4) is bonded to one O(4) and four equivalent O(8) atoms to form FeO5 square pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1), one Fe(1), and one Fe(3) atom to form corner-sharing ONa4Fe2 octahedra. In the second O site, O(2) is bonded to four equivalent Na(2) and one Fe(2) atom to form distorted corner-sharing ONa4Fe trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to four equivalent Na(3) and one Fe(1) atom to form distorted corner-sharing ONa4Fe trigonal bipyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to four equivalent Na(4), one Fe(2), and one Fe(4) atom to form corner-sharing ONa4Fe2 octahedra. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), three equivalent Na(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), three equivalent Na(3), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), three equivalent Na(4), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), three equivalent Na(1), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Na4FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.390
_cell_length_b   9.320
_cell_length_c   7.393
_cell_angle_alpha   89.999
_cell_angle_beta   89.939
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   509.160
_cell_formula_units_Z   4
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
  Na  Na0  1  0.296  0.250  0.105  1.0
  Na  Na1  1  0.790  0.499  0.603  1.0
  Na  Na2  1  0.289  0.750  0.102  1.0
  Na  Na3  1  0.796  0.000  0.605  1.0
  Na  Na4  1  0.395  0.000  0.797  1.0
  Na  Na5  1  0.895  0.250  0.296  1.0
  Na  Na6  1  0.397  0.499  0.790  1.0
  Na  Na7  1  0.898  0.750  0.289  1.0
  Na  Na8  1  0.602  0.499  0.210  1.0
  Na  Na9  1  0.102  0.750  0.711  1.0
  Na  Na10  1  0.605  0.000  0.203  1.0
  Na  Na11  1  0.105  0.250  0.704  1.0
  Na  Na12  1  0.704  0.250  0.895  1.0
  Na  Na13  1  0.210  0.499  0.397  1.0
  Na  Na14  1  0.711  0.750  0.898  1.0
  Na  Na15  1  0.204  1.000  0.395  1.0
  Fe  Fe16  1  0.000  0.491  0.000  1.0
  Fe  Fe17  1  0.500  0.760  0.500  1.0
  Fe  Fe18  1  0.000  0.029  0.000  1.0
  Fe  Fe19  1  0.500  0.222  0.500  1.0
  O  O20  1  0.000  0.274  0.000  1.0
  O  O21  1  0.500  0.558  0.500  1.0
  O  O22  1  1.000  0.692  0.000  1.0
  O  O23  1  0.500  0.974  0.500  1.0
  O  O24  1  0.245  0.495  0.070  1.0
  O  O25  1  0.745  0.755  0.570  1.0
  O  O26  1  0.238  0.004  0.069  1.0
  O  O27  1  0.738  0.247  0.569  1.0
  O  O28  1  0.431  0.247  0.737  1.0
  O  O29  1  0.930  0.495  0.245  1.0
  O  O30  1  0.430  0.755  0.745  1.0
  O  O31  1  0.931  0.004  0.237  1.0
  O  O32  1  0.569  0.247  0.263  1.0
  O  O33  1  0.070  0.495  0.755  1.0
  O  O34  1  0.570  0.755  0.255  1.0
  O  O35  1  0.069  0.004  0.763  1.0
  O  O36  1  0.763  0.004  0.931  1.0
  O  O37  1  0.262  0.247  0.431  1.0
  O  O38  1  0.755  0.495  0.930  1.0
  O  O39  1  0.254  0.755  0.430  1.0
[/CIF]
.
The structure described by Na4FeO5 crystallizes in the tetragonal P4 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(5), one O(7), and three equivalent O(8) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Na(4)O6 octahedra,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 11-24°. In the second Na site, Na(2) is bonded to one O(2), one O(6), one O(8), and three equivalent O(5) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-27°. In the third Na site, Na(3) is bonded to one O(3), one O(5), one O(7), and three equivalent O(6) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with three equivalent Na(3)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with three equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-27°. In the fourth Na site, Na(4) is bonded to one O(4), one O(6), one O(8), and three equivalent O(7) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with three equivalent Na(4)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Na(4)O6 octahedra,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 12-24°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and four equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), and four equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Na(3)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid, edges with four equivalent Na(2)O6 octahedra, edges with four equivalent Na(3)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Fe site, Fe(3) is bonded to one O(1) and four equivalent O(7) atoms to form FeO5 square pyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. In the fourth Fe site, Fe(4) is bonded to one O(4) and four equivalent O(8) atoms to form FeO5 square pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1), one Fe(1), and one Fe(3) atom to form corner-sharing ONa4Fe2 octahedra. In the second O site, O(2) is bonded to four equivalent Na(2) and one Fe(2) atom to form distorted corner-sharing ONa4Fe trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to four equivalent Na(3) and one Fe(1) atom to form distorted corner-sharing ONa4Fe trigonal bipyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to four equivalent Na(4), one Fe(2), and one Fe(4) atom to form corner-sharing ONa4Fe2 octahedra. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), three equivalent Na(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), three equivalent Na(3), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), three equivalent Na(4), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), three equivalent Na(1), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Na4FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.390
_cell_length_b   9.320
_cell_length_c   7.393
_cell_angle_alpha   89.999
_cell_angle_beta   89.939
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   509.160
_cell_formula_units_Z   4
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
  Na  Na0  1  0.296  0.250  0.105  1.0
  Na  Na1  1  0.790  0.499  0.603  1.0
  Na  Na2  1  0.289  0.750  0.102  1.0
  Na  Na3  1  0.796  0.000  0.605  1.0
  Na  Na4  1  0.395  0.000  0.797  1.0
  Na  Na5  1  0.895  0.250  0.296  1.0
  Na  Na6  1  0.397  0.499  0.790  1.0
  Na  Na7  1  0.898  0.750  0.289  1.0
  Na  Na8  1  0.602  0.499  0.210  1.0
  Na  Na9  1  0.102  0.750  0.711  1.0
  Na  Na10  1  0.605  0.000  0.203  1.0
  Na  Na11  1  0.105  0.250  0.704  1.0
  Na  Na12  1  0.704  0.250  0.895  1.0
  Na  Na13  1  0.210  0.499  0.397  1.0
  Na  Na14  1  0.711  0.750  0.898  1.0
  Na  Na15  1  0.204  1.000  0.395  1.0
  Fe  Fe16  1  0.000  0.491  0.000  1.0
  Fe  Fe17  1  0.500  0.760  0.500  1.0
  Fe  Fe18  1  0.000  0.029  0.000  1.0
  Fe  Fe19  1  0.500  0.222  0.500  1.0
  O  O20  1  0.000  0.274  0.000  1.0
  O  O21  1  0.500  0.558  0.500  1.0
  O  O22  1  1.000  0.692  0.000  1.0
  O  O23  1  0.500  0.974  0.500  1.0
  O  O24  1  0.245  0.495  0.070  1.0
  O  O25  1  0.745  0.755  0.570  1.0
  O  O26  1  0.238  0.004  0.069  1.0
  O  O27  1  0.738  0.247  0.569  1.0
  O  O28  1  0.431  0.247  0.737  1.0
  O  O29  1  0.930  0.495  0.245  1.0
  O  O30  1  0.430  0.755  0.745  1.0
  O  O31  1  0.931  0.004  0.237  1.0
  O  O32  1  0.569  0.247  0.263  1.0
  O  O33  1  0.070  0.495  0.755  1.0
  O  O34  1  0.570  0.755  0.255  1.0
  O  O35  1  0.069  0.004  0.763  1.0
  O  O36  1  0.763  0.004  0.931  1.0
  O  O37  1  0.262  0.247  0.431  1.0
  O  O38  1  0.755  0.495  0.930  1.0
  O  O39  1  0.254  0.755  0.430  1.0
[/CIF]
.