The compound described by FeOOH crystallizes in the orthorhombic P2_12_12_1 space group. Fe(1) is bonded to three equivalent O(1) 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 56-58°. 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(1) is bonded in a distorted trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one H(1) atom. is represented by the CIF card [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.073
_cell_length_b   4.652
_cell_length_c   10.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.631
_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  0.243  0.292  0.645  1.0
  Fe  Fe1  1  0.257  0.708  0.145  1.0
  Fe  Fe2  1  0.743  0.208  0.355  1.0
  Fe  Fe3  1  0.757  0.792  0.855  1.0
  H  H4  1  0.232  0.657  0.416  1.0
  H  H5  1  0.268  0.343  0.916  1.0
  H  H6  1  0.732  0.843  0.584  1.0
  H  H7  1  0.768  0.157  0.084  1.0
  O  O8  1  0.243  0.958  0.305  1.0
  O  O9  1  0.257  0.042  0.805  1.0
  O  O10  1  0.743  0.542  0.695  1.0
  O  O11  1  0.757  0.458  0.195  1.0
  O  O12  1  0.240  0.452  0.446  1.0
  O  O13  1  0.260  0.548  0.946  1.0
  O  O14  1  0.740  0.048  0.554  1.0
  O  O15  1  0.760  0.952  0.054  1.0
[/CIF]
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The compound described by FeOOH crystallizes in the orthorhombic P2_12_12_1 space group. Fe(1) is bonded to three equivalent O(1) 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 56-58°. 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(1) is bonded in a distorted trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one H(1) atom. is represented by the CIF card [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.073
_cell_length_b   4.652
_cell_length_c   10.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.631
_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  0.243  0.292  0.645  1.0
  Fe  Fe1  1  0.257  0.708  0.145  1.0
  Fe  Fe2  1  0.743  0.208  0.355  1.0
  Fe  Fe3  1  0.757  0.792  0.855  1.0
  H  H4  1  0.232  0.657  0.416  1.0
  H  H5  1  0.268  0.343  0.916  1.0
  H  H6  1  0.732  0.843  0.584  1.0
  H  H7  1  0.768  0.157  0.084  1.0
  O  O8  1  0.243  0.958  0.305  1.0
  O  O9  1  0.257  0.042  0.805  1.0
  O  O10  1  0.743  0.542  0.695  1.0
  O  O11  1  0.757  0.458  0.195  1.0
  O  O12  1  0.240  0.452  0.446  1.0
  O  O13  1  0.260  0.548  0.946  1.0
  O  O14  1  0.740  0.048  0.554  1.0
  O  O15  1  0.760  0.952  0.054  1.0
[/CIF]
.