The crystal structure described by (FeO3)8O2 is Upper Bainite-like structured and crystallizes in the orthorhombic Immm space group. The structure consists of two water atoms inside a FeO3 framework. In the FeO3 framework, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Fe4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.088
_cell_length_b   6.088
_cell_length_c   6.088
_cell_angle_alpha   110.814
_cell_angle_beta   110.690
_cell_angle_gamma   106.939
_symmetry_Int_Tables_number   1
_cell_volume   173.477
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.500  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.843  0.200  0.643  1.0
  O  O5  1  0.157  0.800  0.357  1.0
  O  O6  1  0.444  0.800  0.643  1.0
  O  O7  1  0.556  0.200  0.357  1.0
  O  O8  1  0.656  0.658  0.314  1.0
  O  O9  1  0.344  0.658  0.002  1.0
  O  O10  1  0.656  0.342  0.998  1.0
  O  O11  1  0.344  0.342  0.686  1.0
  O  O12  1  0.150  0.999  0.849  1.0
  O  O13  1  0.850  0.698  0.849  1.0
  O  O14  1  0.850  0.001  0.151  1.0
  O  O15  1  0.150  0.302  0.151  1.0
  O  O16  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by (FeO3)8O2 is Upper Bainite-like structured and crystallizes in the orthorhombic Immm space group. The structure consists of two water atoms inside a FeO3 framework. In the FeO3 framework, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Fe4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.088
_cell_length_b   6.088
_cell_length_c   6.088
_cell_angle_alpha   110.814
_cell_angle_beta   110.690
_cell_angle_gamma   106.939
_symmetry_Int_Tables_number   1
_cell_volume   173.477
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.500  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.843  0.200  0.643  1.0
  O  O5  1  0.157  0.800  0.357  1.0
  O  O6  1  0.444  0.800  0.643  1.0
  O  O7  1  0.556  0.200  0.357  1.0
  O  O8  1  0.656  0.658  0.314  1.0
  O  O9  1  0.344  0.658  0.002  1.0
  O  O10  1  0.656  0.342  0.998  1.0
  O  O11  1  0.344  0.342  0.686  1.0
  O  O12  1  0.150  0.999  0.849  1.0
  O  O13  1  0.850  0.698  0.849  1.0
  O  O14  1  0.850  0.001  0.151  1.0
  O  O15  1  0.150  0.302  0.151  1.0
  O  O16  1  0.000  0.500  0.500  1.0
[/CIF]
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