The crystal structure described by NaFe5O8 is Spinel-like 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(2)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(2)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Fe(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2) and three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_NaFe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.078
_cell_length_c   6.035
_cell_angle_alpha   60.237
_cell_angle_beta   90.000
_cell_angle_gamma   120.475
_symmetry_Int_Tables_number   1
_cell_volume   157.072
_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  0.625  0.750  0.625  1.0
  Fe  Fe1  1  0.625  0.250  0.125  1.0
  Fe  Fe2  1  0.008  0.985  0.008  1.0
  Fe  Fe3  1  0.625  0.250  0.625  1.0
  Fe  Fe4  1  0.242  0.515  0.242  1.0
  Fe  Fe5  1  0.125  0.750  0.625  1.0
  O  O6  1  0.857  0.267  0.367  1.0
  O  O7  1  0.378  0.244  0.378  1.0
  O  O8  1  0.872  0.256  0.872  1.0
  O  O9  1  0.883  0.723  0.393  1.0
  O  O10  1  0.883  0.723  0.883  1.0
  O  O11  1  0.393  0.233  0.883  1.0
  O  O12  1  0.367  0.777  0.367  1.0
  O  O13  1  0.367  0.777  0.857  1.0
[/CIF]
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The crystal structure described by NaFe5O8 is Spinel-like 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(2)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(2)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Fe(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2) and three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_NaFe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.078
_cell_length_c   6.035
_cell_angle_alpha   60.237
_cell_angle_beta   90.000
_cell_angle_gamma   120.475
_symmetry_Int_Tables_number   1
_cell_volume   157.072
_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  0.625  0.750  0.625  1.0
  Fe  Fe1  1  0.625  0.250  0.125  1.0
  Fe  Fe2  1  0.008  0.985  0.008  1.0
  Fe  Fe3  1  0.625  0.250  0.625  1.0
  Fe  Fe4  1  0.242  0.515  0.242  1.0
  Fe  Fe5  1  0.125  0.750  0.625  1.0
  O  O6  1  0.857  0.267  0.367  1.0
  O  O7  1  0.378  0.244  0.378  1.0
  O  O8  1  0.872  0.256  0.872  1.0
  O  O9  1  0.883  0.723  0.393  1.0
  O  O10  1  0.883  0.723  0.883  1.0
  O  O11  1  0.393  0.233  0.883  1.0
  O  O12  1  0.367  0.777  0.367  1.0
  O  O13  1  0.367  0.777  0.857  1.0
[/CIF]
.