The crystal structure described by Fe3(OH)8Fe(OH)2H2O2H2O crystallizes in the triclinic P-1 space group. The structure consists of one iron hydroxide (fe(oh)2) molecule, one water molecule, and two water molecules inside a Fe3(OH)8 framework. In the Fe3(OH)8 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent H(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded to two equivalent H(1), two equivalent H(4), and two equivalent O(1) atoms to form corner-sharing FeH4O2 octahedra. In the third Fe site, Fe(4) is bonded to two equivalent H(4), two equivalent H(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted corner-sharing FeH4O4 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 16°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one Fe(2), one O(1), and one O(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one Fe(2), one Fe(4), and one O(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one Fe(1), one Fe(4), and one O(5) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Fe(1), one Fe(2), and one H(1) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Fe(4) and one H(4) atom. In the third O site, O(5) is bonded in a 2-coordinate geometry to one H(1) and one H(5) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(6) atom. is represented by the CIF card [CIF]
data_Fe4H14O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.648
_cell_length_b   6.712
_cell_length_c   6.752
_cell_angle_alpha   110.809
_cell_angle_beta   109.872
_cell_angle_gamma   107.284
_symmetry_Int_Tables_number   1
_cell_volume   233.017
_cell_formula_units_Z   1
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  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.182  0.442  0.373  1.0
  H  H5  1  0.818  0.558  0.627  1.0
  H  H6  1  0.942  0.324  0.739  1.0
  H  H7  1  0.058  0.676  0.261  1.0
  H  H8  1  0.675  0.133  0.558  1.0
  H  H9  1  0.550  0.287  0.284  1.0
  H  H10  1  0.450  0.713  0.716  1.0
  H  H11  1  0.325  0.867  0.442  1.0
  H  H12  1  0.139  0.952  0.808  1.0
  H  H13  1  0.758  0.806  0.044  1.0
  H  H14  1  0.861  0.048  0.192  1.0
  H  H15  1  0.242  0.194  0.956  1.0
  H  H16  1  0.393  0.560  0.062  1.0
  H  H17  1  0.607  0.440  0.938  1.0
  O  O18  1  0.180  0.316  0.507  1.0
  O  O19  1  0.820  0.684  0.493  1.0
  O  O20  1  0.816  0.335  0.865  1.0
  O  O21  1  0.184  0.665  0.135  1.0
  O  O22  1  0.687  0.012  0.684  1.0
  O  O23  1  0.678  0.368  0.314  1.0
  O  O24  1  0.322  0.632  0.686  1.0
  O  O25  1  0.313  0.988  0.316  1.0
  O  O26  1  0.006  0.827  0.815  1.0
  O  O27  1  0.636  0.816  0.174  1.0
  O  O28  1  0.994  0.173  0.185  1.0
  O  O29  1  0.364  0.184  0.826  1.0
  O  O30  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Fe3(OH)8Fe(OH)2H2O2H2O crystallizes in the triclinic P-1 space group. The structure consists of one iron hydroxide (fe(oh)2) molecule, one water molecule, and two water molecules inside a Fe3(OH)8 framework. In the Fe3(OH)8 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent H(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded to two equivalent H(1), two equivalent H(4), and two equivalent O(1) atoms to form corner-sharing FeH4O2 octahedra. In the third Fe site, Fe(4) is bonded to two equivalent H(4), two equivalent H(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted corner-sharing FeH4O4 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 16°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one Fe(2), one O(1), and one O(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one Fe(2), one Fe(4), and one O(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one Fe(1), one Fe(4), and one O(5) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Fe(1), one Fe(2), and one H(1) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Fe(4) and one H(4) atom. In the third O site, O(5) is bonded in a 2-coordinate geometry to one H(1) and one H(5) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(6) atom. is represented by the CIF card [CIF]
data_Fe4H14O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.648
_cell_length_b   6.712
_cell_length_c   6.752
_cell_angle_alpha   110.809
_cell_angle_beta   109.872
_cell_angle_gamma   107.284
_symmetry_Int_Tables_number   1
_cell_volume   233.017
_cell_formula_units_Z   1
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  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.182  0.442  0.373  1.0
  H  H5  1  0.818  0.558  0.627  1.0
  H  H6  1  0.942  0.324  0.739  1.0
  H  H7  1  0.058  0.676  0.261  1.0
  H  H8  1  0.675  0.133  0.558  1.0
  H  H9  1  0.550  0.287  0.284  1.0
  H  H10  1  0.450  0.713  0.716  1.0
  H  H11  1  0.325  0.867  0.442  1.0
  H  H12  1  0.139  0.952  0.808  1.0
  H  H13  1  0.758  0.806  0.044  1.0
  H  H14  1  0.861  0.048  0.192  1.0
  H  H15  1  0.242  0.194  0.956  1.0
  H  H16  1  0.393  0.560  0.062  1.0
  H  H17  1  0.607  0.440  0.938  1.0
  O  O18  1  0.180  0.316  0.507  1.0
  O  O19  1  0.820  0.684  0.493  1.0
  O  O20  1  0.816  0.335  0.865  1.0
  O  O21  1  0.184  0.665  0.135  1.0
  O  O22  1  0.687  0.012  0.684  1.0
  O  O23  1  0.678  0.368  0.314  1.0
  O  O24  1  0.322  0.632  0.686  1.0
  O  O25  1  0.313  0.988  0.316  1.0
  O  O26  1  0.006  0.827  0.815  1.0
  O  O27  1  0.636  0.816  0.174  1.0
  O  O28  1  0.994  0.173  0.185  1.0
  O  O29  1  0.364  0.184  0.826  1.0
  O  O30  1  0.500  0.500  0.000  1.0
[/CIF]
.