The structure described by Fe5O8 crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(1) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted corner-sharing OFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.743
_cell_length_b   5.743
_cell_length_c   5.743
_cell_angle_alpha   59.019
_cell_angle_beta   59.019
_cell_angle_gamma   59.019
_symmetry_Int_Tables_number   1
_cell_volume   130.935
_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
  Fe  Fe0  1  0.121  0.121  0.121  1.0
  Fe  Fe1  1  0.879  0.879  0.879  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.260  0.260  0.260  1.0
  O  O6  1  0.720  0.248  0.248  1.0
  O  O7  1  0.248  0.248  0.720  1.0
  O  O8  1  0.248  0.720  0.248  1.0
  O  O9  1  0.740  0.740  0.740  1.0
  O  O10  1  0.280  0.752  0.752  1.0
  O  O11  1  0.752  0.752  0.280  1.0
  O  O12  1  0.752  0.280  0.752  1.0
[/CIF]
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The structure described by Fe5O8 crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(1) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted corner-sharing OFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.743
_cell_length_b   5.743
_cell_length_c   5.743
_cell_angle_alpha   59.019
_cell_angle_beta   59.019
_cell_angle_gamma   59.019
_symmetry_Int_Tables_number   1
_cell_volume   130.935
_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
  Fe  Fe0  1  0.121  0.121  0.121  1.0
  Fe  Fe1  1  0.879  0.879  0.879  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.260  0.260  0.260  1.0
  O  O6  1  0.720  0.248  0.248  1.0
  O  O7  1  0.248  0.248  0.720  1.0
  O  O8  1  0.248  0.720  0.248  1.0
  O  O9  1  0.740  0.740  0.740  1.0
  O  O10  1  0.280  0.752  0.752  1.0
  O  O11  1  0.752  0.752  0.280  1.0
  O  O12  1  0.752  0.280  0.752  1.0
[/CIF]
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