The material described by Na4FeO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Na site, Na(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. Fe(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(4), two equivalent Na(3), and one Fe(1) atom to form corner-sharing ONa5Fe octahedra. The corner-sharing octahedral tilt angles are 61°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Na4FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   6.132
_cell_length_c   8.181
_cell_angle_alpha   111.039
_cell_angle_beta   89.976
_cell_angle_gamma   117.971
_symmetry_Int_Tables_number   1
_cell_volume   232.620
_cell_formula_units_Z   2
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  0.277  0.223  0.949  1.0
  Na  Na1  1  0.728  0.766  0.031  1.0
  Na  Na2  1  0.946  0.223  0.449  1.0
  Na  Na3  1  0.099  0.617  0.849  1.0
  Na  Na4  1  0.517  0.617  0.349  1.0
  Na  Na5  1  0.867  0.413  0.130  1.0
  Na  Na6  1  0.039  0.766  0.531  1.0
  Na  Na7  1  0.545  0.413  0.630  1.0
  Fe  Fe8  1  0.630  0.961  0.746  1.0
  Fe  Fe9  1  0.331  0.961  0.246  1.0
  O  O10  1  0.883  0.871  0.794  1.0
  O  O11  1  0.316  0.632  0.608  1.0
  O  O12  1  0.317  0.632  0.108  1.0
  O  O13  1  0.988  0.871  0.294  1.0
  O  O14  1  0.639  0.299  0.344  1.0
  O  O15  1  0.660  0.299  0.843  1.0
[/CIF]
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The material described by Na4FeO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Na site, Na(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. Fe(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(4), two equivalent Na(3), and one Fe(1) atom to form corner-sharing ONa5Fe octahedra. The corner-sharing octahedral tilt angles are 61°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Na4FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   6.132
_cell_length_c   8.181
_cell_angle_alpha   111.039
_cell_angle_beta   89.976
_cell_angle_gamma   117.971
_symmetry_Int_Tables_number   1
_cell_volume   232.620
_cell_formula_units_Z   2
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  0.277  0.223  0.949  1.0
  Na  Na1  1  0.728  0.766  0.031  1.0
  Na  Na2  1  0.946  0.223  0.449  1.0
  Na  Na3  1  0.099  0.617  0.849  1.0
  Na  Na4  1  0.517  0.617  0.349  1.0
  Na  Na5  1  0.867  0.413  0.130  1.0
  Na  Na6  1  0.039  0.766  0.531  1.0
  Na  Na7  1  0.545  0.413  0.630  1.0
  Fe  Fe8  1  0.630  0.961  0.746  1.0
  Fe  Fe9  1  0.331  0.961  0.246  1.0
  O  O10  1  0.883  0.871  0.794  1.0
  O  O11  1  0.316  0.632  0.608  1.0
  O  O12  1  0.317  0.632  0.108  1.0
  O  O13  1  0.988  0.871  0.294  1.0
  O  O14  1  0.639  0.299  0.344  1.0
  O  O15  1  0.660  0.299  0.843  1.0
[/CIF]
.