The material structure described by Na3FeO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. Fe(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and one Fe(1) atom. In the third O site, O(3) is bonded to one Na(2), four equivalent Na(1), and one Fe(1) atom to form edge-sharing ONa5Fe octahedra. is represented by the CIF card [CIF]
data_Na3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   7.446
_cell_length_c   8.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.692
_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  0.043  0.270  0.037  1.0
  Na  Na1  1  0.043  0.270  0.463  1.0
  Na  Na2  1  0.172  0.049  0.750  1.0
  Na  Na3  1  0.328  0.549  0.250  1.0
  Na  Na4  1  0.457  0.770  0.537  1.0
  Na  Na5  1  0.457  0.770  0.963  1.0
  Na  Na6  1  0.543  0.230  0.037  1.0
  Na  Na7  1  0.543  0.230  0.463  1.0
  Na  Na8  1  0.672  0.451  0.750  1.0
  Na  Na9  1  0.828  0.951  0.250  1.0
  Na  Na10  1  0.957  0.730  0.537  1.0
  Na  Na11  1  0.957  0.730  0.963  1.0
  Fe  Fe12  1  0.217  0.503  0.750  1.0
  Fe  Fe13  1  0.283  0.003  0.250  1.0
  Fe  Fe14  1  0.717  0.997  0.750  1.0
  Fe  Fe15  1  0.783  0.497  0.250  1.0
  O  O16  1  0.000  0.388  0.750  1.0
  O  O17  1  0.180  0.955  0.062  1.0
  O  O18  1  0.180  0.955  0.438  1.0
  O  O19  1  0.199  0.739  0.750  1.0
  O  O20  1  0.301  0.239  0.250  1.0
  O  O21  1  0.320  0.455  0.562  1.0
  O  O22  1  0.320  0.455  0.938  1.0
  O  O23  1  0.500  0.888  0.250  1.0
  O  O24  1  0.500  0.112  0.750  1.0
  O  O25  1  0.680  0.545  0.062  1.0
  O  O26  1  0.680  0.545  0.438  1.0
  O  O27  1  0.699  0.761  0.750  1.0
  O  O28  1  0.801  0.261  0.250  1.0
  O  O29  1  0.820  0.045  0.562  1.0
  O  O30  1  0.820  0.045  0.938  1.0
  O  O31  1  1.000  0.612  0.250  1.0
[/CIF]
.
The material structure described by Na3FeO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. Fe(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and one Fe(1) atom. In the third O site, O(3) is bonded to one Na(2), four equivalent Na(1), and one Fe(1) atom to form edge-sharing ONa5Fe octahedra. is represented by the CIF card [CIF]
data_Na3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   7.446
_cell_length_c   8.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.692
_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  0.043  0.270  0.037  1.0
  Na  Na1  1  0.043  0.270  0.463  1.0
  Na  Na2  1  0.172  0.049  0.750  1.0
  Na  Na3  1  0.328  0.549  0.250  1.0
  Na  Na4  1  0.457  0.770  0.537  1.0
  Na  Na5  1  0.457  0.770  0.963  1.0
  Na  Na6  1  0.543  0.230  0.037  1.0
  Na  Na7  1  0.543  0.230  0.463  1.0
  Na  Na8  1  0.672  0.451  0.750  1.0
  Na  Na9  1  0.828  0.951  0.250  1.0
  Na  Na10  1  0.957  0.730  0.537  1.0
  Na  Na11  1  0.957  0.730  0.963  1.0
  Fe  Fe12  1  0.217  0.503  0.750  1.0
  Fe  Fe13  1  0.283  0.003  0.250  1.0
  Fe  Fe14  1  0.717  0.997  0.750  1.0
  Fe  Fe15  1  0.783  0.497  0.250  1.0
  O  O16  1  0.000  0.388  0.750  1.0
  O  O17  1  0.180  0.955  0.062  1.0
  O  O18  1  0.180  0.955  0.438  1.0
  O  O19  1  0.199  0.739  0.750  1.0
  O  O20  1  0.301  0.239  0.250  1.0
  O  O21  1  0.320  0.455  0.562  1.0
  O  O22  1  0.320  0.455  0.938  1.0
  O  O23  1  0.500  0.888  0.250  1.0
  O  O24  1  0.500  0.112  0.750  1.0
  O  O25  1  0.680  0.545  0.062  1.0
  O  O26  1  0.680  0.545  0.438  1.0
  O  O27  1  0.699  0.761  0.750  1.0
  O  O28  1  0.801  0.261  0.250  1.0
  O  O29  1  0.820  0.045  0.562  1.0
  O  O30  1  0.820  0.045  0.938  1.0
  O  O31  1  1.000  0.612  0.250  1.0
[/CIF]
.