The compound described by FeOOH crystallizes in the tetragonal I4/m space group. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to three equivalent Fe(1) and one H(1) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.742
_cell_length_b   7.742
_cell_length_c   7.742
_cell_angle_alpha   92.280
_cell_angle_beta   92.280
_cell_angle_gamma   156.988
_symmetry_Int_Tables_number   1
_cell_volume   177.748
_cell_formula_units_Z   4
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  0.821  0.657  0.478  1.0
  Fe  Fe1  1  0.179  0.343  0.522  1.0
  Fe  Fe2  1  0.343  0.821  0.164  1.0
  Fe  Fe3  1  0.657  0.179  0.836  1.0
  H  H4  1  0.727  0.457  0.184  1.0
  H  H5  1  0.273  0.543  0.816  1.0
  H  H6  1  0.543  0.727  0.271  1.0
  H  H7  1  0.457  0.273  0.729  1.0
  O  O8  1  0.796  0.842  0.638  1.0
  O  O9  1  0.204  0.158  0.362  1.0
  O  O10  1  0.158  0.796  0.953  1.0
  O  O11  1  0.842  0.204  0.047  1.0
  O  O12  1  0.819  0.460  0.280  1.0
  O  O13  1  0.181  0.540  0.720  1.0
  O  O14  1  0.540  0.819  0.359  1.0
  O  O15  1  0.460  0.181  0.641  1.0
[/CIF]
.
The compound described by FeOOH crystallizes in the tetragonal I4/m space group. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to three equivalent Fe(1) and one H(1) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.742
_cell_length_b   7.742
_cell_length_c   7.742
_cell_angle_alpha   92.280
_cell_angle_beta   92.280
_cell_angle_gamma   156.988
_symmetry_Int_Tables_number   1
_cell_volume   177.748
_cell_formula_units_Z   4
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  0.821  0.657  0.478  1.0
  Fe  Fe1  1  0.179  0.343  0.522  1.0
  Fe  Fe2  1  0.343  0.821  0.164  1.0
  Fe  Fe3  1  0.657  0.179  0.836  1.0
  H  H4  1  0.727  0.457  0.184  1.0
  H  H5  1  0.273  0.543  0.816  1.0
  H  H6  1  0.543  0.727  0.271  1.0
  H  H7  1  0.457  0.273  0.729  1.0
  O  O8  1  0.796  0.842  0.638  1.0
  O  O9  1  0.204  0.158  0.362  1.0
  O  O10  1  0.158  0.796  0.953  1.0
  O  O11  1  0.842  0.204  0.047  1.0
  O  O12  1  0.819  0.460  0.280  1.0
  O  O13  1  0.181  0.540  0.720  1.0
  O  O14  1  0.540  0.819  0.359  1.0
  O  O15  1  0.460  0.181  0.641  1.0
[/CIF]
.