The crystal structure described by NaFeO2 is beta beryllia-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with four equivalent Na(1)O4 tetrahedra and corners with eight equivalent Fe(1)O4 tetrahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with eight equivalent Na(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ONa2Fe2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Fe(1) atoms to form corner-sharing ONa2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_NaFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.436
_cell_length_b   5.794
_cell_length_c   7.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.713
_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  0.020  0.927  0.622  1.0
  Na  Na1  1  0.020  0.427  0.878  1.0
  Na  Na2  1  0.520  0.573  0.122  1.0
  Na  Na3  1  0.520  0.073  0.378  1.0
  Fe  Fe4  1  0.507  0.567  0.627  1.0
  Fe  Fe5  1  0.507  0.067  0.873  1.0
  Fe  Fe6  1  0.007  0.433  0.373  1.0
  Fe  Fe7  1  0.007  0.933  0.127  1.0
  O  O8  1  0.089  0.613  0.161  1.0
  O  O9  1  0.158  0.547  0.592  1.0
  O  O10  1  0.658  0.953  0.092  1.0
  O  O11  1  0.589  0.887  0.661  1.0
  O  O12  1  0.658  0.453  0.408  1.0
  O  O13  1  0.589  0.387  0.839  1.0
  O  O14  1  0.089  0.113  0.339  1.0
  O  O15  1  0.158  0.047  0.908  1.0
[/CIF]
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The crystal structure described by NaFeO2 is beta beryllia-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with four equivalent Na(1)O4 tetrahedra and corners with eight equivalent Fe(1)O4 tetrahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with eight equivalent Na(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ONa2Fe2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Fe(1) atoms to form corner-sharing ONa2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_NaFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.436
_cell_length_b   5.794
_cell_length_c   7.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.713
_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  0.020  0.927  0.622  1.0
  Na  Na1  1  0.020  0.427  0.878  1.0
  Na  Na2  1  0.520  0.573  0.122  1.0
  Na  Na3  1  0.520  0.073  0.378  1.0
  Fe  Fe4  1  0.507  0.567  0.627  1.0
  Fe  Fe5  1  0.507  0.067  0.873  1.0
  Fe  Fe6  1  0.007  0.433  0.373  1.0
  Fe  Fe7  1  0.007  0.933  0.127  1.0
  O  O8  1  0.089  0.613  0.161  1.0
  O  O9  1  0.158  0.547  0.592  1.0
  O  O10  1  0.658  0.953  0.092  1.0
  O  O11  1  0.589  0.887  0.661  1.0
  O  O12  1  0.658  0.453  0.408  1.0
  O  O13  1  0.589  0.387  0.839  1.0
  O  O14  1  0.089  0.113  0.339  1.0
  O  O15  1  0.158  0.047  0.908  1.0
[/CIF]
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