The material structure described by FeOOH crystallizes in the orthorhombic Pmn2_1 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 range from 52-54°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Fe(1) and one H(1) atom to form distorted corner-sharing OFe3H trigonal pyramids. is represented by the CIF card [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.060
_cell_length_b   4.485
_cell_length_c   5.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.207
_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  0.723  0.010  1.0
  Fe  Fe1  1  0.500  0.277  0.510  1.0
  H  H2  1  0.000  0.814  0.492  1.0
  H  H3  1  0.500  0.186  0.992  1.0
  O  O4  1  0.000  0.994  0.368  1.0
  O  O5  1  0.500  0.006  0.868  1.0
  O  O6  1  0.000  0.510  0.662  1.0
  O  O7  1  0.500  0.490  0.162  1.0
[/CIF]
.
The material structure described by FeOOH crystallizes in the orthorhombic Pmn2_1 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 range from 52-54°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Fe(1) and one H(1) atom to form distorted corner-sharing OFe3H trigonal pyramids. is represented by the CIF card [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.060
_cell_length_b   4.485
_cell_length_c   5.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.207
_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  0.723  0.010  1.0
  Fe  Fe1  1  0.500  0.277  0.510  1.0
  H  H2  1  0.000  0.814  0.492  1.0
  H  H3  1  0.500  0.186  0.992  1.0
  O  O4  1  0.000  0.994  0.368  1.0
  O  O5  1  0.500  0.006  0.868  1.0
  O  O6  1  0.000  0.510  0.662  1.0
  O  O7  1  0.500  0.490  0.162  1.0
[/CIF]
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