The compound described by Na2FeO3 crystallizes in the monoclinic P2_1/c space group. There are two 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(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with five equivalent Na(2)O6 octahedra, and edges with two equivalent Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-27°. In the second Na site, Na(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Na(2)O6 octahedra, edges with five equivalent Na(1)O6 octahedra, and edges with two equivalent Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-39°. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted FeO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-73°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and two equivalent Fe(1) atoms to form distorted ONa3Fe2 trigonal bipyramids that share  a cornercorner with one O(2)Na5Fe octahedra, corners with two equivalent O(1)Na3Fe2 trigonal bipyramids, corners with six equivalent O(3)Na4Fe trigonal bipyramids, edges with four equivalent O(2)Na5Fe octahedra,  an edgeedge with one O(1)Na3Fe2 trigonal bipyramid, and  an edgeedge with one O(3)Na4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 90°. In the second O site, O(2) is bonded to two equivalent Na(1), three equivalent Na(2), and one Fe(1) atom to form distorted ONa5Fe octahedra that share corners with four equivalent O(2)Na5Fe octahedra,  a cornercorner with one O(1)Na3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Na4Fe trigonal bipyramid, edges with two equivalent O(2)Na5Fe octahedra, edges with four equivalent O(1)Na3Fe2 trigonal bipyramids, and edges with five equivalent O(3)Na4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-16°. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Na(2), and one Fe(1) atom to form distorted ONa4Fe trigonal bipyramids that share  a cornercorner with one O(2)Na5Fe octahedra, corners with four equivalent O(3)Na4Fe trigonal bipyramids, corners with six equivalent O(1)Na3Fe2 trigonal bipyramids, edges with five equivalent O(2)Na5Fe octahedra, and  an edgeedge with one O(1)Na3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 15°. is represented by the CIF file [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.001
_cell_length_b   4.844
_cell_length_c   6.613
_cell_angle_alpha   88.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.160
_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  0.728  0.263  0.858  1.0
  Na  Na1  1  0.772  0.263  0.358  1.0
  Na  Na2  1  0.397  0.261  0.881  1.0
  Na  Na3  1  0.103  0.261  0.381  1.0
  Na  Na4  1  0.897  0.739  0.619  1.0
  Na  Na5  1  0.603  0.739  0.119  1.0
  Na  Na6  1  0.228  0.737  0.642  1.0
  Na  Na7  1  0.272  0.737  0.142  1.0
  Fe  Fe8  1  0.040  0.183  0.840  1.0
  Fe  Fe9  1  0.460  0.183  0.340  1.0
  Fe  Fe10  1  0.540  0.817  0.660  1.0
  Fe  Fe11  1  0.960  0.817  0.160  1.0
  O  O12  1  0.564  0.206  0.578  1.0
  O  O13  1  0.936  0.206  0.078  1.0
  O  O14  1  0.921  0.255  0.646  1.0
  O  O15  1  0.579  0.255  0.146  1.0
  O  O16  1  0.191  0.240  0.711  1.0
  O  O17  1  0.309  0.240  0.211  1.0
  O  O18  1  0.691  0.760  0.789  1.0
  O  O19  1  0.809  0.760  0.289  1.0
  O  O20  1  0.421  0.745  0.854  1.0
  O  O21  1  0.079  0.745  0.354  1.0
  O  O22  1  0.064  0.794  0.922  1.0
  O  O23  1  0.436  0.794  0.422  1.0
[/CIF]
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The compound described by Na2FeO3 crystallizes in the monoclinic P2_1/c space group. There are two 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(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with five equivalent Na(2)O6 octahedra, and edges with two equivalent Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-27°. In the second Na site, Na(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Na(2)O6 octahedra, edges with five equivalent Na(1)O6 octahedra, and edges with two equivalent Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-39°. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted FeO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-73°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and two equivalent Fe(1) atoms to form distorted ONa3Fe2 trigonal bipyramids that share  a cornercorner with one O(2)Na5Fe octahedra, corners with two equivalent O(1)Na3Fe2 trigonal bipyramids, corners with six equivalent O(3)Na4Fe trigonal bipyramids, edges with four equivalent O(2)Na5Fe octahedra,  an edgeedge with one O(1)Na3Fe2 trigonal bipyramid, and  an edgeedge with one O(3)Na4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 90°. In the second O site, O(2) is bonded to two equivalent Na(1), three equivalent Na(2), and one Fe(1) atom to form distorted ONa5Fe octahedra that share corners with four equivalent O(2)Na5Fe octahedra,  a cornercorner with one O(1)Na3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Na4Fe trigonal bipyramid, edges with two equivalent O(2)Na5Fe octahedra, edges with four equivalent O(1)Na3Fe2 trigonal bipyramids, and edges with five equivalent O(3)Na4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-16°. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Na(2), and one Fe(1) atom to form distorted ONa4Fe trigonal bipyramids that share  a cornercorner with one O(2)Na5Fe octahedra, corners with four equivalent O(3)Na4Fe trigonal bipyramids, corners with six equivalent O(1)Na3Fe2 trigonal bipyramids, edges with five equivalent O(2)Na5Fe octahedra, and  an edgeedge with one O(1)Na3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 15°. is represented by the CIF file [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.001
_cell_length_b   4.844
_cell_length_c   6.613
_cell_angle_alpha   88.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.160
_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  0.728  0.263  0.858  1.0
  Na  Na1  1  0.772  0.263  0.358  1.0
  Na  Na2  1  0.397  0.261  0.881  1.0
  Na  Na3  1  0.103  0.261  0.381  1.0
  Na  Na4  1  0.897  0.739  0.619  1.0
  Na  Na5  1  0.603  0.739  0.119  1.0
  Na  Na6  1  0.228  0.737  0.642  1.0
  Na  Na7  1  0.272  0.737  0.142  1.0
  Fe  Fe8  1  0.040  0.183  0.840  1.0
  Fe  Fe9  1  0.460  0.183  0.340  1.0
  Fe  Fe10  1  0.540  0.817  0.660  1.0
  Fe  Fe11  1  0.960  0.817  0.160  1.0
  O  O12  1  0.564  0.206  0.578  1.0
  O  O13  1  0.936  0.206  0.078  1.0
  O  O14  1  0.921  0.255  0.646  1.0
  O  O15  1  0.579  0.255  0.146  1.0
  O  O16  1  0.191  0.240  0.711  1.0
  O  O17  1  0.309  0.240  0.211  1.0
  O  O18  1  0.691  0.760  0.789  1.0
  O  O19  1  0.809  0.760  0.289  1.0
  O  O20  1  0.421  0.745  0.854  1.0
  O  O21  1  0.079  0.745  0.354  1.0
  O  O22  1  0.064  0.794  0.922  1.0
  O  O23  1  0.436  0.794  0.422  1.0
[/CIF]
.