The material described by Na2FeO3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a distorted pentagonal planar geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Na(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent Na(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the third O site, O(3) is bonded to four equivalent Na(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.257
_cell_length_b   6.274
_cell_length_c   10.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.751
_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  0.011  0.501  0.755  1.0
  Na  Na1  1  0.011  0.999  0.755  1.0
  Na  Na2  1  0.489  0.499  0.255  1.0
  Na  Na3  1  0.489  0.001  0.255  1.0
  Na  Na4  1  0.511  0.501  0.745  1.0
  Na  Na5  1  0.511  0.999  0.745  1.0
  Na  Na6  1  0.989  0.001  0.245  1.0
  Na  Na7  1  0.989  0.499  0.245  1.0
  Fe  Fe8  1  0.161  0.750  0.001  1.0
  Fe  Fe9  1  0.339  0.250  0.501  1.0
  Fe  Fe10  1  0.661  0.750  0.499  1.0
  Fe  Fe11  1  0.839  0.250  0.999  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.223  0.250  0.341  1.0
  O  O15  1  0.243  0.250  0.667  1.0
  O  O16  1  0.257  0.750  0.167  1.0
  O  O17  1  0.277  0.750  0.841  1.0
  O  O18  1  0.500  0.500  0.500  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.723  0.250  0.159  1.0
  O  O21  1  0.743  0.250  0.833  1.0
  O  O22  1  0.757  0.750  0.333  1.0
  O  O23  1  0.777  0.750  0.659  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 distorted pentagonal planar geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Na(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent Na(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the third O site, O(3) is bonded to four equivalent Na(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.257
_cell_length_b   6.274
_cell_length_c   10.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.751
_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  0.011  0.501  0.755  1.0
  Na  Na1  1  0.011  0.999  0.755  1.0
  Na  Na2  1  0.489  0.499  0.255  1.0
  Na  Na3  1  0.489  0.001  0.255  1.0
  Na  Na4  1  0.511  0.501  0.745  1.0
  Na  Na5  1  0.511  0.999  0.745  1.0
  Na  Na6  1  0.989  0.001  0.245  1.0
  Na  Na7  1  0.989  0.499  0.245  1.0
  Fe  Fe8  1  0.161  0.750  0.001  1.0
  Fe  Fe9  1  0.339  0.250  0.501  1.0
  Fe  Fe10  1  0.661  0.750  0.499  1.0
  Fe  Fe11  1  0.839  0.250  0.999  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.223  0.250  0.341  1.0
  O  O15  1  0.243  0.250  0.667  1.0
  O  O16  1  0.257  0.750  0.167  1.0
  O  O17  1  0.277  0.750  0.841  1.0
  O  O18  1  0.500  0.500  0.500  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.723  0.250  0.159  1.0
  O  O21  1  0.743  0.250  0.833  1.0
  O  O22  1  0.757  0.750  0.333  1.0
  O  O23  1  0.777  0.750  0.659  1.0
[/CIF]
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