The structure described by NaFe3O5 crystallizes in the orthorhombic Pnnm space group. Na(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form edge-sharing FeO6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Na(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form distorted ONaFe4 trigonal bipyramids that share corners with four equivalent O(5)NaFe4 trigonal bipyramids, edges with four equivalent O(1)Na2Fe3 square pyramids, and  an edgeedge with one O(5)NaFe4 trigonal bipyramid. In the second O site, O(1) is bonded to two equivalent Na(1), one Fe(3), and two equivalent Fe(1) atoms to form ONa2Fe3 square pyramids that share  a cornercorner with one O(1)Na2Fe3 square pyramid, edges with two equivalent O(1)Na2Fe3 square pyramids, and edges with four equivalent O(5)NaFe4 trigonal bipyramids. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Fe(2), and two equivalent Fe(4) atoms. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Fe(4), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Fe(1), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_NaFe3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.031
_cell_length_b   10.919
_cell_length_c   11.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.385
_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  0.500  0.958  0.249  1.0
  Na  Na1  1  0.500  0.042  0.751  1.0
  Na  Na2  1  0.000  0.458  0.251  1.0
  Na  Na3  1  0.000  0.542  0.749  1.0
  Fe  Fe4  1  0.500  0.206  0.118  1.0
  Fe  Fe5  1  0.500  0.794  0.882  1.0
  Fe  Fe6  1  0.000  0.706  0.382  1.0
  Fe  Fe7  1  0.000  0.294  0.618  1.0
  Fe  Fe8  1  0.000  0.220  0.382  1.0
  Fe  Fe9  1  0.000  0.780  0.618  1.0
  Fe  Fe10  1  0.500  0.720  0.118  1.0
  Fe  Fe11  1  0.500  0.280  0.882  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  Fe  Fe14  1  0.000  0.500  0.000  1.0
  Fe  Fe15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.000  0.089  0.148  1.0
  O  O17  1  0.000  0.911  0.852  1.0
  O  O18  1  0.500  0.589  0.352  1.0
  O  O19  1  0.500  0.411  0.648  1.0
  O  O20  1  0.000  0.042  0.391  1.0
  O  O21  1  0.000  0.958  0.609  1.0
  O  O22  1  0.500  0.542  0.109  1.0
  O  O23  1  0.500  0.458  0.891  1.0
  O  O24  1  0.000  0.314  0.041  1.0
  O  O25  1  0.000  0.686  0.959  1.0
  O  O26  1  0.500  0.814  0.459  1.0
  O  O27  1  0.500  0.186  0.541  1.0
  O  O28  1  0.500  0.264  0.281  1.0
  O  O29  1  0.500  0.736  0.719  1.0
  O  O30  1  0.000  0.764  0.219  1.0
  O  O31  1  0.000  0.236  0.781  1.0
  O  O32  1  0.000  0.383  0.457  1.0
  O  O33  1  0.000  0.617  0.543  1.0
  O  O34  1  0.500  0.883  0.043  1.0
  O  O35  1  0.500  0.117  0.957  1.0
[/CIF]
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The structure described by NaFe3O5 crystallizes in the orthorhombic Pnnm space group. Na(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form edge-sharing FeO6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Na(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form distorted ONaFe4 trigonal bipyramids that share corners with four equivalent O(5)NaFe4 trigonal bipyramids, edges with four equivalent O(1)Na2Fe3 square pyramids, and  an edgeedge with one O(5)NaFe4 trigonal bipyramid. In the second O site, O(1) is bonded to two equivalent Na(1), one Fe(3), and two equivalent Fe(1) atoms to form ONa2Fe3 square pyramids that share  a cornercorner with one O(1)Na2Fe3 square pyramid, edges with two equivalent O(1)Na2Fe3 square pyramids, and edges with four equivalent O(5)NaFe4 trigonal bipyramids. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Fe(2), and two equivalent Fe(4) atoms. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Fe(4), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Fe(1), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_NaFe3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.031
_cell_length_b   10.919
_cell_length_c   11.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.385
_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  0.500  0.958  0.249  1.0
  Na  Na1  1  0.500  0.042  0.751  1.0
  Na  Na2  1  0.000  0.458  0.251  1.0
  Na  Na3  1  0.000  0.542  0.749  1.0
  Fe  Fe4  1  0.500  0.206  0.118  1.0
  Fe  Fe5  1  0.500  0.794  0.882  1.0
  Fe  Fe6  1  0.000  0.706  0.382  1.0
  Fe  Fe7  1  0.000  0.294  0.618  1.0
  Fe  Fe8  1  0.000  0.220  0.382  1.0
  Fe  Fe9  1  0.000  0.780  0.618  1.0
  Fe  Fe10  1  0.500  0.720  0.118  1.0
  Fe  Fe11  1  0.500  0.280  0.882  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  Fe  Fe14  1  0.000  0.500  0.000  1.0
  Fe  Fe15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.000  0.089  0.148  1.0
  O  O17  1  0.000  0.911  0.852  1.0
  O  O18  1  0.500  0.589  0.352  1.0
  O  O19  1  0.500  0.411  0.648  1.0
  O  O20  1  0.000  0.042  0.391  1.0
  O  O21  1  0.000  0.958  0.609  1.0
  O  O22  1  0.500  0.542  0.109  1.0
  O  O23  1  0.500  0.458  0.891  1.0
  O  O24  1  0.000  0.314  0.041  1.0
  O  O25  1  0.000  0.686  0.959  1.0
  O  O26  1  0.500  0.814  0.459  1.0
  O  O27  1  0.500  0.186  0.541  1.0
  O  O28  1  0.500  0.264  0.281  1.0
  O  O29  1  0.500  0.736  0.719  1.0
  O  O30  1  0.000  0.764  0.219  1.0
  O  O31  1  0.000  0.236  0.781  1.0
  O  O32  1  0.000  0.383  0.457  1.0
  O  O33  1  0.000  0.617  0.543  1.0
  O  O34  1  0.500  0.883  0.043  1.0
  O  O35  1  0.500  0.117  0.957  1.0
[/CIF]
.