The crystal structure described by Fe5HO8 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-64°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(4), and two equivalent Fe(2) atoms. In the second O site, O(6) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1), two equivalent Fe(2), and one H(1) atom. In the fourth O site, O(2) is bonded to one Fe(1), one Fe(4), and two equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   5.963
_cell_length_c   9.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.005
_symmetry_Int_Tables_number   1
_cell_volume   285.418
_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  0.167  0.833  0.129  1.0
  Fe  Fe1  1  0.167  0.333  0.135  1.0
  Fe  Fe2  1  0.667  0.833  0.135  1.0
  Fe  Fe3  1  0.833  0.167  0.629  1.0
  Fe  Fe4  1  0.833  0.667  0.635  1.0
  Fe  Fe5  1  0.333  0.167  0.635  1.0
  Fe  Fe6  1  0.333  0.667  0.841  1.0
  Fe  Fe7  1  0.667  0.333  0.341  1.0
  Fe  Fe8  1  0.333  0.667  0.456  1.0
  Fe  Fe9  1  0.667  0.333  0.956  1.0
  H  H10  1  0.003  0.997  0.907  1.0
  H  H11  1  0.997  0.003  0.407  1.0
  O  O12  1  0.998  0.002  0.513  1.0
  O  O13  1  0.002  0.998  0.013  1.0
  O  O14  1  0.331  0.669  0.247  1.0
  O  O15  1  0.669  0.331  0.747  1.0
  O  O16  1  0.166  0.834  0.738  1.0
  O  O17  1  0.156  0.328  0.735  1.0
  O  O18  1  0.672  0.844  0.735  1.0
  O  O19  1  0.834  0.166  0.238  1.0
  O  O20  1  0.844  0.672  0.235  1.0
  O  O21  1  0.328  0.156  0.235  1.0
  O  O22  1  0.515  0.485  0.496  1.0
  O  O23  1  0.522  0.032  0.501  1.0
  O  O24  1  0.968  0.478  0.501  1.0
  O  O25  1  0.485  0.515  0.996  1.0
  O  O26  1  0.478  0.968  0.001  1.0
  O  O27  1  0.032  0.522  0.001  1.0
[/CIF]
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The crystal structure described by Fe5HO8 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-64°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(4), and two equivalent Fe(2) atoms. In the second O site, O(6) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1), two equivalent Fe(2), and one H(1) atom. In the fourth O site, O(2) is bonded to one Fe(1), one Fe(4), and two equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   5.963
_cell_length_c   9.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.005
_symmetry_Int_Tables_number   1
_cell_volume   285.418
_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  0.167  0.833  0.129  1.0
  Fe  Fe1  1  0.167  0.333  0.135  1.0
  Fe  Fe2  1  0.667  0.833  0.135  1.0
  Fe  Fe3  1  0.833  0.167  0.629  1.0
  Fe  Fe4  1  0.833  0.667  0.635  1.0
  Fe  Fe5  1  0.333  0.167  0.635  1.0
  Fe  Fe6  1  0.333  0.667  0.841  1.0
  Fe  Fe7  1  0.667  0.333  0.341  1.0
  Fe  Fe8  1  0.333  0.667  0.456  1.0
  Fe  Fe9  1  0.667  0.333  0.956  1.0
  H  H10  1  0.003  0.997  0.907  1.0
  H  H11  1  0.997  0.003  0.407  1.0
  O  O12  1  0.998  0.002  0.513  1.0
  O  O13  1  0.002  0.998  0.013  1.0
  O  O14  1  0.331  0.669  0.247  1.0
  O  O15  1  0.669  0.331  0.747  1.0
  O  O16  1  0.166  0.834  0.738  1.0
  O  O17  1  0.156  0.328  0.735  1.0
  O  O18  1  0.672  0.844  0.735  1.0
  O  O19  1  0.834  0.166  0.238  1.0
  O  O20  1  0.844  0.672  0.235  1.0
  O  O21  1  0.328  0.156  0.235  1.0
  O  O22  1  0.515  0.485  0.496  1.0
  O  O23  1  0.522  0.032  0.501  1.0
  O  O24  1  0.968  0.478  0.501  1.0
  O  O25  1  0.485  0.515  0.996  1.0
  O  O26  1  0.478  0.968  0.001  1.0
  O  O27  1  0.032  0.522  0.001  1.0
[/CIF]
.