The compound described by Na2FeO4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Na2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   7.225
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.561
_symmetry_Int_Tables_number   1
_cell_volume   198.859
_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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.819  0.181  0.250  1.0
  Na  Na3  1  0.181  0.819  0.750  1.0
  Fe  Fe4  1  0.853  0.147  0.750  1.0
  Fe  Fe5  1  0.147  0.853  0.250  1.0
  O  O6  1  0.750  0.250  0.936  1.0
  O  O7  1  0.250  0.750  0.436  1.0
  O  O8  1  0.250  0.750  0.064  1.0
  O  O9  1  0.750  0.250  0.564  1.0
  O  O10  1  0.188  0.273  0.750  1.0
  O  O11  1  0.812  0.727  0.250  1.0
  O  O12  1  0.727  0.812  0.750  1.0
  O  O13  1  0.273  0.188  0.250  1.0
[/CIF]
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The compound described by Na2FeO4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Na2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   7.225
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.561
_symmetry_Int_Tables_number   1
_cell_volume   198.859
_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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.819  0.181  0.250  1.0
  Na  Na3  1  0.181  0.819  0.750  1.0
  Fe  Fe4  1  0.853  0.147  0.750  1.0
  Fe  Fe5  1  0.147  0.853  0.250  1.0
  O  O6  1  0.750  0.250  0.936  1.0
  O  O7  1  0.250  0.750  0.436  1.0
  O  O8  1  0.250  0.750  0.064  1.0
  O  O9  1  0.750  0.250  0.564  1.0
  O  O10  1  0.188  0.273  0.750  1.0
  O  O11  1  0.812  0.727  0.250  1.0
  O  O12  1  0.727  0.812  0.750  1.0
  O  O13  1  0.273  0.188  0.250  1.0
[/CIF]
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