The material structure described by NaFeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. O(1) is bonded to three equivalent Na(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing ONa3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   5.614
_cell_angle_alpha   31.183
_cell_angle_beta   31.183
_cell_angle_gamma   31.183
_symmetry_Int_Tables_number   1
_cell_volume   42.099
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.765  0.765  0.765  1.0
  O  O3  1  0.235  0.235  0.235  1.0
[/CIF]
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The material structure described by NaFeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. O(1) is bonded to three equivalent Na(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing ONa3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   5.614
_cell_angle_alpha   31.183
_cell_angle_beta   31.183
_cell_angle_gamma   31.183
_symmetry_Int_Tables_number   1
_cell_volume   42.099
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.765  0.765  0.765  1.0
  O  O3  1  0.235  0.235  0.235  1.0
[/CIF]
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