The crystal structure described by Na2FeO3 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with six equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(3)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   5.219
_cell_length_c   5.561
_cell_angle_alpha   79.923
_cell_angle_beta   72.089
_cell_angle_gamma   63.484
_symmetry_Int_Tables_number   1
_cell_volume   128.437
_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
  Fe  Fe0  1  0.674  0.664  0.997  1.0
  Fe  Fe1  1  0.327  0.335  0.003  1.0
  Na  Na2  1  0.500  1.000  0.500  1.0
  Na  Na3  1  0.000  1.000  1.000  1.0
  Na  Na4  1  0.160  0.685  0.490  1.0
  Na  Na5  1  0.839  0.315  0.510  1.0
  O  O6  1  0.724  0.961  0.790  1.0
  O  O7  1  0.276  0.040  0.210  1.0
  O  O8  1  0.550  0.381  0.199  1.0
  O  O9  1  0.892  0.646  0.208  1.0
  O  O10  1  0.451  0.619  0.801  1.0
  O  O11  1  0.108  0.355  0.792  1.0
[/CIF]
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The crystal structure described by Na2FeO3 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with six equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(3)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   5.219
_cell_length_c   5.561
_cell_angle_alpha   79.923
_cell_angle_beta   72.089
_cell_angle_gamma   63.484
_symmetry_Int_Tables_number   1
_cell_volume   128.437
_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
  Fe  Fe0  1  0.674  0.664  0.997  1.0
  Fe  Fe1  1  0.327  0.335  0.003  1.0
  Na  Na2  1  0.500  1.000  0.500  1.0
  Na  Na3  1  0.000  1.000  1.000  1.0
  Na  Na4  1  0.160  0.685  0.490  1.0
  Na  Na5  1  0.839  0.315  0.510  1.0
  O  O6  1  0.724  0.961  0.790  1.0
  O  O7  1  0.276  0.040  0.210  1.0
  O  O8  1  0.550  0.381  0.199  1.0
  O  O9  1  0.892  0.646  0.208  1.0
  O  O10  1  0.451  0.619  0.801  1.0
  O  O11  1  0.108  0.355  0.792  1.0
[/CIF]
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