The material structure described by Fe4O5 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-67°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeO6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 30-67°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(2) and two equivalent Fe(3) atoms to form OFe4 tetrahedra that share corners with six equivalent O(2)Fe5 square pyramids, corners with two equivalent O(1)Fe4 tetrahedra, corners with eight equivalent O(3)Fe5 trigonal bipyramids, and edges with two equivalent O(3)Fe5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe5 square pyramids that share corners with two equivalent O(2)Fe5 square pyramids, corners with three equivalent O(1)Fe4 tetrahedra, corners with four equivalent O(3)Fe5 trigonal bipyramids, edges with five equivalent O(2)Fe5 square pyramids, and edges with three equivalent O(3)Fe5 trigonal bipyramids. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form distorted OFe5 trigonal bipyramids that share corners with four equivalent O(2)Fe5 square pyramids, corners with four equivalent O(1)Fe4 tetrahedra, corners with three equivalent O(3)Fe5 trigonal bipyramids, edges with three equivalent O(2)Fe5 square pyramids,  an edgeedge with one O(1)Fe4 tetrahedra, and edges with three equivalent O(3)Fe5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.287
_cell_length_b   5.287
_cell_length_c   12.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.080
_symmetry_Int_Tables_number   1
_cell_volume   189.267
_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
  Fe  Fe0  1  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.739  0.261  0.385  1.0
  Fe  Fe3  1  0.261  0.739  0.615  1.0
  Fe  Fe4  1  0.739  0.261  0.115  1.0
  Fe  Fe5  1  0.261  0.739  0.885  1.0
  Fe  Fe6  1  0.495  0.505  0.250  1.0
  Fe  Fe7  1  0.505  0.495  0.750  1.0
  O  O8  1  0.850  0.150  0.250  1.0
  O  O9  1  0.150  0.850  0.750  1.0
  O  O10  1  0.632  0.368  0.964  1.0
  O  O11  1  0.368  0.632  0.036  1.0
  O  O12  1  0.632  0.368  0.536  1.0
  O  O13  1  0.368  0.632  0.464  1.0
  O  O14  1  0.919  0.081  0.851  1.0
  O  O15  1  0.081  0.919  0.149  1.0
  O  O16  1  0.919  0.081  0.649  1.0
  O  O17  1  0.081  0.919  0.351  1.0
[/CIF]
.
The material structure described by Fe4O5 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-67°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeO6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 30-67°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(2) and two equivalent Fe(3) atoms to form OFe4 tetrahedra that share corners with six equivalent O(2)Fe5 square pyramids, corners with two equivalent O(1)Fe4 tetrahedra, corners with eight equivalent O(3)Fe5 trigonal bipyramids, and edges with two equivalent O(3)Fe5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe5 square pyramids that share corners with two equivalent O(2)Fe5 square pyramids, corners with three equivalent O(1)Fe4 tetrahedra, corners with four equivalent O(3)Fe5 trigonal bipyramids, edges with five equivalent O(2)Fe5 square pyramids, and edges with three equivalent O(3)Fe5 trigonal bipyramids. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form distorted OFe5 trigonal bipyramids that share corners with four equivalent O(2)Fe5 square pyramids, corners with four equivalent O(1)Fe4 tetrahedra, corners with three equivalent O(3)Fe5 trigonal bipyramids, edges with three equivalent O(2)Fe5 square pyramids,  an edgeedge with one O(1)Fe4 tetrahedra, and edges with three equivalent O(3)Fe5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.287
_cell_length_b   5.287
_cell_length_c   12.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.080
_symmetry_Int_Tables_number   1
_cell_volume   189.267
_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
  Fe  Fe0  1  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.739  0.261  0.385  1.0
  Fe  Fe3  1  0.261  0.739  0.615  1.0
  Fe  Fe4  1  0.739  0.261  0.115  1.0
  Fe  Fe5  1  0.261  0.739  0.885  1.0
  Fe  Fe6  1  0.495  0.505  0.250  1.0
  Fe  Fe7  1  0.505  0.495  0.750  1.0
  O  O8  1  0.850  0.150  0.250  1.0
  O  O9  1  0.150  0.850  0.750  1.0
  O  O10  1  0.632  0.368  0.964  1.0
  O  O11  1  0.368  0.632  0.036  1.0
  O  O12  1  0.632  0.368  0.536  1.0
  O  O13  1  0.368  0.632  0.464  1.0
  O  O14  1  0.919  0.081  0.851  1.0
  O  O15  1  0.081  0.919  0.149  1.0
  O  O16  1  0.919  0.081  0.649  1.0
  O  O17  1  0.081  0.919  0.351  1.0
[/CIF]
.