The compound described by Na4FeO5 crystallizes in the monoclinic C2 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Na(7)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Na(7)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. In the third Na site, Na(3) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Na(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. In the fourth Na site, Na(4) is bonded to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Na(7)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(5), one O(7), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(8) atom. In the seventh Na site, Na(7) is bonded to one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-25°. In the eighth Na site, Na(8) is bonded to one O(1), one O(10), one O(12), one O(6), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-25°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(7)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(11), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, and edges with two equivalent Na(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(12) and two equivalent O(5) atoms. In the fourth Fe site, Fe(4) is bonded in a rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted square pyramidal geometry to two equivalent Na(1), two equivalent Na(8), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(5), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(3), two equivalent Na(6), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted square pyramidal geometry to two equivalent Na(4), two equivalent Na(7), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(5), one Na(7), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), one Na(6), one Na(8), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), one Na(7), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(6), one Na(8), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(5), one Na(7), one Na(8), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), one Na(5), one Na(6), one Na(8), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(5), one Na(6), one Na(7), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), one Na(6), one Na(7), one Na(8), and one Fe(3) atom. is represented by the CIF card [CIF]
data_Na4FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.783
_cell_length_b   8.737
_cell_length_c   8.735
_cell_angle_alpha   65.141
_cell_angle_beta   106.608
_cell_angle_gamma   73.069
_symmetry_Int_Tables_number   1
_cell_volume   513.444
_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  0.290  0.656  0.447  1.0
  Na  Na1  1  0.793  0.903  0.698  1.0
  Na  Na2  1  0.293  0.156  0.947  1.0
  Na  Na3  1  0.791  0.407  0.196  1.0
  Na  Na4  1  0.394  0.197  0.594  1.0
  Na  Na5  1  0.894  0.450  0.841  1.0
  Na  Na6  1  0.396  0.699  0.092  1.0
  Na  Na7  1  0.896  0.946  0.345  1.0
  Na  Na8  1  0.606  0.800  0.409  1.0
  Na  Na9  1  0.106  0.053  0.656  1.0
  Na  Na10  1  0.604  0.304  0.905  1.0
  Na  Na11  1  0.104  0.551  0.158  1.0
  Na  Na12  1  0.707  0.346  0.551  1.0
  Na  Na13  1  0.209  0.595  0.802  1.0
  Na  Na14  1  0.710  0.843  0.053  1.0
  Na  Na15  1  0.207  0.095  0.304  1.0
  Fe  Fe16  1  0.000  0.498  0.502  1.0
  Fe  Fe17  1  0.500  0.751  0.749  1.0
  Fe  Fe18  1  0.000  0.006  0.994  1.0
  Fe  Fe19  1  0.500  0.246  0.254  1.0
  O  O20  1  0.000  0.699  0.301  1.0
  O  O21  1  0.500  0.954  0.546  1.0
  O  O22  1  1.000  0.295  0.705  1.0
  O  O23  1  0.500  0.550  0.950  1.0
  O  O24  1  0.237  0.916  0.151  1.0
  O  O25  1  0.737  0.164  0.403  1.0
  O  O26  1  0.243  0.412  0.658  1.0
  O  O27  1  0.743  0.664  0.905  1.0
  O  O28  1  0.432  0.403  0.336  1.0
  O  O29  1  0.931  0.657  0.589  1.0
  O  O30  1  0.431  0.908  0.838  1.0
  O  O31  1  0.932  0.154  0.085  1.0
  O  O32  1  0.569  0.593  0.661  1.0
  O  O33  1  0.068  0.847  0.914  1.0
  O  O34  1  0.568  0.096  0.164  1.0
  O  O35  1  0.069  0.342  0.413  1.0
  O  O36  1  0.763  0.086  0.846  1.0
  O  O37  1  0.263  0.334  0.098  1.0
  O  O38  1  0.756  0.586  0.345  1.0
  O  O39  1  0.257  0.838  0.593  1.0
[/CIF]
.
The compound described by Na4FeO5 crystallizes in the monoclinic C2 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Na(7)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Na(7)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. In the third Na site, Na(3) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Na(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. In the fourth Na site, Na(4) is bonded to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Na(7)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(5), one O(7), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(8) atom. In the seventh Na site, Na(7) is bonded to one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-25°. In the eighth Na site, Na(8) is bonded to one O(1), one O(10), one O(12), one O(6), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-25°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(7)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(11), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, and edges with two equivalent Na(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(12) and two equivalent O(5) atoms. In the fourth Fe site, Fe(4) is bonded in a rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted square pyramidal geometry to two equivalent Na(1), two equivalent Na(8), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(5), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(3), two equivalent Na(6), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted square pyramidal geometry to two equivalent Na(4), two equivalent Na(7), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(5), one Na(7), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), one Na(6), one Na(8), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), one Na(7), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(6), one Na(8), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(5), one Na(7), one Na(8), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), one Na(5), one Na(6), one Na(8), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(5), one Na(6), one Na(7), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Na(2), one Na(4), one Na(6), one Na(7), one Na(8), and one Fe(3) atom. is represented by the CIF card [CIF]
data_Na4FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.783
_cell_length_b   8.737
_cell_length_c   8.735
_cell_angle_alpha   65.141
_cell_angle_beta   106.608
_cell_angle_gamma   73.069
_symmetry_Int_Tables_number   1
_cell_volume   513.444
_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  0.290  0.656  0.447  1.0
  Na  Na1  1  0.793  0.903  0.698  1.0
  Na  Na2  1  0.293  0.156  0.947  1.0
  Na  Na3  1  0.791  0.407  0.196  1.0
  Na  Na4  1  0.394  0.197  0.594  1.0
  Na  Na5  1  0.894  0.450  0.841  1.0
  Na  Na6  1  0.396  0.699  0.092  1.0
  Na  Na7  1  0.896  0.946  0.345  1.0
  Na  Na8  1  0.606  0.800  0.409  1.0
  Na  Na9  1  0.106  0.053  0.656  1.0
  Na  Na10  1  0.604  0.304  0.905  1.0
  Na  Na11  1  0.104  0.551  0.158  1.0
  Na  Na12  1  0.707  0.346  0.551  1.0
  Na  Na13  1  0.209  0.595  0.802  1.0
  Na  Na14  1  0.710  0.843  0.053  1.0
  Na  Na15  1  0.207  0.095  0.304  1.0
  Fe  Fe16  1  0.000  0.498  0.502  1.0
  Fe  Fe17  1  0.500  0.751  0.749  1.0
  Fe  Fe18  1  0.000  0.006  0.994  1.0
  Fe  Fe19  1  0.500  0.246  0.254  1.0
  O  O20  1  0.000  0.699  0.301  1.0
  O  O21  1  0.500  0.954  0.546  1.0
  O  O22  1  1.000  0.295  0.705  1.0
  O  O23  1  0.500  0.550  0.950  1.0
  O  O24  1  0.237  0.916  0.151  1.0
  O  O25  1  0.737  0.164  0.403  1.0
  O  O26  1  0.243  0.412  0.658  1.0
  O  O27  1  0.743  0.664  0.905  1.0
  O  O28  1  0.432  0.403  0.336  1.0
  O  O29  1  0.931  0.657  0.589  1.0
  O  O30  1  0.431  0.908  0.838  1.0
  O  O31  1  0.932  0.154  0.085  1.0
  O  O32  1  0.569  0.593  0.661  1.0
  O  O33  1  0.068  0.847  0.914  1.0
  O  O34  1  0.568  0.096  0.164  1.0
  O  O35  1  0.069  0.342  0.413  1.0
  O  O36  1  0.763  0.086  0.846  1.0
  O  O37  1  0.263  0.334  0.098  1.0
  O  O38  1  0.756  0.586  0.345  1.0
  O  O39  1  0.257  0.838  0.593  1.0
[/CIF]
.