The compound described by Na2FeO3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(3) and three equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent Fe(1)O4 tetrahedra, corners with two equivalent Na(1)O5 trigonal bipyramids, and edges with three equivalent Na(1)O5 trigonal bipyramids. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with five equivalent Na(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and one Fe(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Fe(1) atoms. In the third O site, O(2) is bonded to two equivalent Na(2), three equivalent Na(1), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing ONa5Fe octahedra. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF card [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   6.135
_cell_length_c   11.146
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   116.938
_symmetry_Int_Tables_number   1
_cell_volume   338.757
_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  0.037  0.073  0.143  1.0
  Na  Na1  1  0.463  0.927  0.643  1.0
  Na  Na2  1  0.537  0.073  0.357  1.0
  Na  Na3  1  0.963  0.927  0.857  1.0
  Na  Na4  1  0.124  0.249  0.583  1.0
  Na  Na5  1  0.376  0.751  0.083  1.0
  Na  Na6  1  0.876  0.751  0.417  1.0
  Na  Na7  1  0.624  0.249  0.917  1.0
  Fe  Fe8  1  0.258  0.517  0.844  1.0
  Fe  Fe9  1  0.758  0.517  0.656  1.0
  Fe  Fe10  1  0.242  0.483  0.344  1.0
  Fe  Fe11  1  0.742  0.483  0.156  1.0
  O  O12  1  0.051  0.601  0.250  1.0
  O  O13  1  0.551  0.601  0.250  1.0
  O  O14  1  0.449  0.399  0.750  1.0
  O  O15  1  0.949  0.399  0.750  1.0
  O  O16  1  0.079  0.158  0.358  1.0
  O  O17  1  0.421  0.842  0.858  1.0
  O  O18  1  0.579  0.158  0.142  1.0
  O  O19  1  0.921  0.842  0.642  1.0
  O  O20  1  0.344  0.689  0.467  1.0
  O  O21  1  0.156  0.311  0.967  1.0
  O  O22  1  0.656  0.311  0.533  1.0
  O  O23  1  0.844  0.689  0.033  1.0
[/CIF]
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The compound described by Na2FeO3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(3) and three equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent Fe(1)O4 tetrahedra, corners with two equivalent Na(1)O5 trigonal bipyramids, and edges with three equivalent Na(1)O5 trigonal bipyramids. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with five equivalent Na(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and one Fe(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Fe(1) atoms. In the third O site, O(2) is bonded to two equivalent Na(2), three equivalent Na(1), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing ONa5Fe octahedra. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF card [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   6.135
_cell_length_c   11.146
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   116.938
_symmetry_Int_Tables_number   1
_cell_volume   338.757
_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  0.037  0.073  0.143  1.0
  Na  Na1  1  0.463  0.927  0.643  1.0
  Na  Na2  1  0.537  0.073  0.357  1.0
  Na  Na3  1  0.963  0.927  0.857  1.0
  Na  Na4  1  0.124  0.249  0.583  1.0
  Na  Na5  1  0.376  0.751  0.083  1.0
  Na  Na6  1  0.876  0.751  0.417  1.0
  Na  Na7  1  0.624  0.249  0.917  1.0
  Fe  Fe8  1  0.258  0.517  0.844  1.0
  Fe  Fe9  1  0.758  0.517  0.656  1.0
  Fe  Fe10  1  0.242  0.483  0.344  1.0
  Fe  Fe11  1  0.742  0.483  0.156  1.0
  O  O12  1  0.051  0.601  0.250  1.0
  O  O13  1  0.551  0.601  0.250  1.0
  O  O14  1  0.449  0.399  0.750  1.0
  O  O15  1  0.949  0.399  0.750  1.0
  O  O16  1  0.079  0.158  0.358  1.0
  O  O17  1  0.421  0.842  0.858  1.0
  O  O18  1  0.579  0.158  0.142  1.0
  O  O19  1  0.921  0.842  0.642  1.0
  O  O20  1  0.344  0.689  0.467  1.0
  O  O21  1  0.156  0.311  0.967  1.0
  O  O22  1  0.656  0.311  0.533  1.0
  O  O23  1  0.844  0.689  0.033  1.0
[/CIF]
.