The material described by Na2FeO3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted edge-sharing FeO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Fe(1) atoms to form a mixture of distorted face, corner, and edge-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.397
_cell_length_b   6.134
_cell_length_c   9.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.834
_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  0.726  0.613  0.914  1.0
  Na  Na1  1  0.726  0.613  0.586  1.0
  Na  Na2  1  0.774  0.113  0.086  1.0
  Na  Na3  1  0.774  0.113  0.414  1.0
  Na  Na4  1  0.226  0.887  0.586  1.0
  Na  Na5  1  0.226  0.887  0.914  1.0
  Na  Na6  1  0.274  0.387  0.086  1.0
  Na  Na7  1  0.274  0.387  0.414  1.0
  Fe  Fe8  1  0.724  0.663  0.250  1.0
  Fe  Fe9  1  0.776  0.163  0.750  1.0
  Fe  Fe10  1  0.224  0.837  0.250  1.0
  Fe  Fe11  1  0.276  0.337  0.750  1.0
  O  O12  1  0.513  0.216  0.613  1.0
  O  O13  1  0.513  0.216  0.887  1.0
  O  O14  1  0.632  0.377  0.250  1.0
  O  O15  1  0.868  0.877  0.750  1.0
  O  O16  1  0.987  0.716  0.387  1.0
  O  O17  1  0.987  0.716  0.113  1.0
  O  O18  1  0.013  0.284  0.613  1.0
  O  O19  1  0.013  0.284  0.887  1.0
  O  O20  1  0.132  0.123  0.250  1.0
  O  O21  1  0.368  0.623  0.750  1.0
  O  O22  1  0.487  0.784  0.113  1.0
  O  O23  1  0.487  0.784  0.387  1.0
[/CIF]
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The material described by Na2FeO3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted edge-sharing FeO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Fe(1) atoms to form a mixture of distorted face, corner, and edge-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.397
_cell_length_b   6.134
_cell_length_c   9.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.834
_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  0.726  0.613  0.914  1.0
  Na  Na1  1  0.726  0.613  0.586  1.0
  Na  Na2  1  0.774  0.113  0.086  1.0
  Na  Na3  1  0.774  0.113  0.414  1.0
  Na  Na4  1  0.226  0.887  0.586  1.0
  Na  Na5  1  0.226  0.887  0.914  1.0
  Na  Na6  1  0.274  0.387  0.086  1.0
  Na  Na7  1  0.274  0.387  0.414  1.0
  Fe  Fe8  1  0.724  0.663  0.250  1.0
  Fe  Fe9  1  0.776  0.163  0.750  1.0
  Fe  Fe10  1  0.224  0.837  0.250  1.0
  Fe  Fe11  1  0.276  0.337  0.750  1.0
  O  O12  1  0.513  0.216  0.613  1.0
  O  O13  1  0.513  0.216  0.887  1.0
  O  O14  1  0.632  0.377  0.250  1.0
  O  O15  1  0.868  0.877  0.750  1.0
  O  O16  1  0.987  0.716  0.387  1.0
  O  O17  1  0.987  0.716  0.113  1.0
  O  O18  1  0.013  0.284  0.613  1.0
  O  O19  1  0.013  0.284  0.887  1.0
  O  O20  1  0.132  0.123  0.250  1.0
  O  O21  1  0.368  0.623  0.750  1.0
  O  O22  1  0.487  0.784  0.113  1.0
  O  O23  1  0.487  0.784  0.387  1.0
[/CIF]
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