The structure described by Na2FeO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Na site, Na(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   9.290
_cell_length_c   5.637
_cell_angle_alpha   100.855
_cell_angle_beta   67.718
_cell_angle_gamma   79.148
_symmetry_Int_Tables_number   1
_cell_volume   257.055
_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  0.008  0.983  0.494  1.0
  Na  Na1  1  0.569  0.844  0.412  1.0
  Na  Na2  1  0.163  0.655  0.318  1.0
  Na  Na3  1  0.742  0.516  0.259  1.0
  Na  Na4  1  0.258  0.483  0.743  1.0
  Na  Na5  1  0.340  0.344  0.182  1.0
  Na  Na6  1  0.433  0.155  0.588  1.0
  Na  Na7  1  0.493  0.016  0.009  1.0
  Fe  Fe8  1  0.104  0.829  0.916  1.0
  Fe  Fe9  1  0.684  0.670  0.836  1.0
  Fe  Fe10  1  0.835  0.329  0.647  1.0
  Fe  Fe11  1  0.916  0.170  0.068  1.0
  O  O12  1  0.361  0.807  0.099  1.0
  O  O13  1  0.795  0.806  0.677  1.0
  O  O14  1  0.353  0.693  0.620  1.0
  O  O15  1  0.920  0.691  0.041  1.0
  O  O16  1  0.565  0.499  0.937  1.0
  O  O17  1  0.951  0.499  0.550  1.0
  O  O18  1  0.074  0.306  0.956  1.0
  O  O19  1  0.652  0.307  0.390  1.0
  O  O20  1  0.711  0.191  0.832  1.0
  O  O21  1  0.131  0.193  0.399  1.0
  O  O22  1  0.201  0.999  0.800  1.0
  O  O23  1  0.815  0.999  0.187  1.0
[/CIF]
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The structure described by Na2FeO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Na site, Na(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   9.290
_cell_length_c   5.637
_cell_angle_alpha   100.855
_cell_angle_beta   67.718
_cell_angle_gamma   79.148
_symmetry_Int_Tables_number   1
_cell_volume   257.055
_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  0.008  0.983  0.494  1.0
  Na  Na1  1  0.569  0.844  0.412  1.0
  Na  Na2  1  0.163  0.655  0.318  1.0
  Na  Na3  1  0.742  0.516  0.259  1.0
  Na  Na4  1  0.258  0.483  0.743  1.0
  Na  Na5  1  0.340  0.344  0.182  1.0
  Na  Na6  1  0.433  0.155  0.588  1.0
  Na  Na7  1  0.493  0.016  0.009  1.0
  Fe  Fe8  1  0.104  0.829  0.916  1.0
  Fe  Fe9  1  0.684  0.670  0.836  1.0
  Fe  Fe10  1  0.835  0.329  0.647  1.0
  Fe  Fe11  1  0.916  0.170  0.068  1.0
  O  O12  1  0.361  0.807  0.099  1.0
  O  O13  1  0.795  0.806  0.677  1.0
  O  O14  1  0.353  0.693  0.620  1.0
  O  O15  1  0.920  0.691  0.041  1.0
  O  O16  1  0.565  0.499  0.937  1.0
  O  O17  1  0.951  0.499  0.550  1.0
  O  O18  1  0.074  0.306  0.956  1.0
  O  O19  1  0.652  0.307  0.390  1.0
  O  O20  1  0.711  0.191  0.832  1.0
  O  O21  1  0.131  0.193  0.399  1.0
  O  O22  1  0.201  0.999  0.800  1.0
  O  O23  1  0.815  0.999  0.187  1.0
[/CIF]
.