The material described by (FeO3)8O2 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(4) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one O(1) atom. 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(4) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one O(4) atom. is represented by the CIF card [CIF]
data_Fe4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.390
_cell_length_c   6.390
_cell_angle_alpha   120.436
_cell_angle_beta   106.124
_cell_angle_gamma   102.457
_symmetry_Int_Tables_number   1
_cell_volume   195.089
_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  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.697  0.392  0.089  1.0
  O  O5  1  0.697  0.608  0.305  1.0
  O  O6  1  0.303  0.392  0.695  1.0
  O  O7  1  0.303  0.608  0.911  1.0
  O  O8  1  0.984  0.163  0.822  1.0
  O  O9  1  0.659  0.837  0.822  1.0
  O  O10  1  0.016  0.837  0.178  1.0
  O  O11  1  0.341  0.163  0.178  1.0
  O  O12  1  0.500  0.000  0.500  1.0
  O  O13  1  0.207  0.600  0.392  1.0
  O  O14  1  0.793  0.400  0.608  1.0
  O  O15  1  0.793  0.185  0.392  1.0
  O  O16  1  0.207  0.815  0.608  1.0
[/CIF]
.
The material described by (FeO3)8O2 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(4) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one O(1) atom. 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(4) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one O(4) atom. is represented by the CIF card [CIF]
data_Fe4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.390
_cell_length_c   6.390
_cell_angle_alpha   120.436
_cell_angle_beta   106.124
_cell_angle_gamma   102.457
_symmetry_Int_Tables_number   1
_cell_volume   195.089
_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  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.697  0.392  0.089  1.0
  O  O5  1  0.697  0.608  0.305  1.0
  O  O6  1  0.303  0.392  0.695  1.0
  O  O7  1  0.303  0.608  0.911  1.0
  O  O8  1  0.984  0.163  0.822  1.0
  O  O9  1  0.659  0.837  0.822  1.0
  O  O10  1  0.016  0.837  0.178  1.0
  O  O11  1  0.341  0.163  0.178  1.0
  O  O12  1  0.500  0.000  0.500  1.0
  O  O13  1  0.207  0.600  0.392  1.0
  O  O14  1  0.793  0.400  0.608  1.0
  O  O15  1  0.793  0.185  0.392  1.0
  O  O16  1  0.207  0.815  0.608  1.0
[/CIF]
.