The material structure described by FeOOH crystallizes in the orthorhombic Pna2_1 space group. Fe(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. 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 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 file [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.149
_cell_length_b   4.915
_cell_length_c   9.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.411
_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  0.779  0.470  0.654  1.0
  Fe  Fe1  1  0.779  0.030  0.154  1.0
  Fe  Fe2  1  0.279  0.530  0.346  1.0
  Fe  Fe3  1  0.279  0.970  0.846  1.0
  H  H4  1  0.528  0.122  0.475  1.0
  H  H5  1  0.528  0.378  0.975  1.0
  H  H6  1  0.028  0.878  0.525  1.0
  H  H7  1  0.028  0.622  0.025  1.0
  O  O8  1  0.771  0.729  0.284  1.0
  O  O9  1  0.771  0.771  0.784  1.0
  O  O10  1  0.271  0.271  0.716  1.0
  O  O11  1  0.271  0.229  0.216  1.0
  O  O12  1  0.684  0.294  0.467  1.0
  O  O13  1  0.684  0.206  0.967  1.0
  O  O14  1  0.184  0.706  0.533  1.0
  O  O15  1  0.184  0.794  0.033  1.0
[/CIF]
.
The material structure described by FeOOH crystallizes in the orthorhombic Pna2_1 space group. Fe(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. 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 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 file [CIF]
data_FeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.149
_cell_length_b   4.915
_cell_length_c   9.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.411
_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  0.779  0.470  0.654  1.0
  Fe  Fe1  1  0.779  0.030  0.154  1.0
  Fe  Fe2  1  0.279  0.530  0.346  1.0
  Fe  Fe3  1  0.279  0.970  0.846  1.0
  H  H4  1  0.528  0.122  0.475  1.0
  H  H5  1  0.528  0.378  0.975  1.0
  H  H6  1  0.028  0.878  0.525  1.0
  H  H7  1  0.028  0.622  0.025  1.0
  O  O8  1  0.771  0.729  0.284  1.0
  O  O9  1  0.771  0.771  0.784  1.0
  O  O10  1  0.271  0.271  0.716  1.0
  O  O11  1  0.271  0.229  0.216  1.0
  O  O12  1  0.684  0.294  0.467  1.0
  O  O13  1  0.684  0.206  0.967  1.0
  O  O14  1  0.184  0.706  0.533  1.0
  O  O15  1  0.184  0.794  0.033  1.0
[/CIF]
.