The compound described by NaFeO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Fe(1) is bonded to six equivalent O(1) atoms to form edge-sharing FeO6 octahedra. O(1) is bonded to three equivalent Na(1) and three equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing ONa3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-42°. is represented by the CIF card [CIF]
data_NaFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.958
_cell_length_b   2.958
_cell_length_c   10.683
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.936
_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  0.667  0.333  0.250  1.0
  Na  Na1  1  0.333  0.667  0.750  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.667  0.404  1.0
  O  O5  1  0.667  0.333  0.596  1.0
  O  O6  1  0.667  0.333  0.904  1.0
  O  O7  1  0.333  0.667  0.096  1.0
[/CIF]
.
The compound described by NaFeO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Fe(1) is bonded to six equivalent O(1) atoms to form edge-sharing FeO6 octahedra. O(1) is bonded to three equivalent Na(1) and three equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing ONa3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-42°. is represented by the CIF card [CIF]
data_NaFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.958
_cell_length_b   2.958
_cell_length_c   10.683
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.936
_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  0.667  0.333  0.250  1.0
  Na  Na1  1  0.333  0.667  0.750  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.667  0.404  1.0
  O  O5  1  0.667  0.333  0.596  1.0
  O  O6  1  0.667  0.333  0.904  1.0
  O  O7  1  0.333  0.667  0.096  1.0
[/CIF]
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