The material described by Fe2O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.673
_cell_length_b   5.331
_cell_length_c   6.296
_cell_angle_alpha   100.439
_cell_angle_beta   110.850
_cell_angle_gamma   90.685
_symmetry_Int_Tables_number   1
_cell_volume   143.643
_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  0.395  0.301  0.292  1.0
  Fe  Fe1  1  0.118  0.203  0.720  1.0
  Fe  Fe2  1  0.605  0.699  0.708  1.0
  Fe  Fe3  1  0.882  0.797  0.280  1.0
  O  O4  1  0.719  0.376  0.584  1.0
  O  O5  1  0.142  0.127  0.410  1.0
  O  O6  1  0.281  0.624  0.416  1.0
  O  O7  1  0.858  0.873  0.590  1.0
  O  O8  1  0.917  0.737  0.982  1.0
  O  O9  1  0.083  0.263  0.018  1.0
  O  O10  1  0.366  0.533  0.830  1.0
  O  O11  1  0.512  0.992  0.178  1.0
  O  O12  1  0.634  0.467  0.170  1.0
  O  O13  1  0.488  0.008  0.822  1.0
[/CIF]
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The material described by Fe2O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.673
_cell_length_b   5.331
_cell_length_c   6.296
_cell_angle_alpha   100.439
_cell_angle_beta   110.850
_cell_angle_gamma   90.685
_symmetry_Int_Tables_number   1
_cell_volume   143.643
_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  0.395  0.301  0.292  1.0
  Fe  Fe1  1  0.118  0.203  0.720  1.0
  Fe  Fe2  1  0.605  0.699  0.708  1.0
  Fe  Fe3  1  0.882  0.797  0.280  1.0
  O  O4  1  0.719  0.376  0.584  1.0
  O  O5  1  0.142  0.127  0.410  1.0
  O  O6  1  0.281  0.624  0.416  1.0
  O  O7  1  0.858  0.873  0.590  1.0
  O  O8  1  0.917  0.737  0.982  1.0
  O  O9  1  0.083  0.263  0.018  1.0
  O  O10  1  0.366  0.533  0.830  1.0
  O  O11  1  0.512  0.992  0.178  1.0
  O  O12  1  0.634  0.467  0.170  1.0
  O  O13  1  0.488  0.008  0.822  1.0
[/CIF]
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