The material structure described by (Fe(OH)3)4H2O crystallizes in the triclinic P-1 space group. The structure consists of one water molecule inside a Fe(OH)3 framework. In the Fe(OH)3 framework, there are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(4), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), and one H(6) atom. is represented by the CIF file [CIF]
data_Fe4H14O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.712
_cell_length_b   6.752
_cell_length_c   6.753
_cell_angle_alpha   108.183
_cell_angle_beta   110.263
_cell_angle_gamma   110.809
_symmetry_Int_Tables_number   1
_cell_volume   233.018
_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  0.000  0.500  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  H  H4  1  0.739  0.182  0.555  1.0
  H  H5  1  0.261  0.818  0.445  1.0
  H  H6  1  0.618  0.942  0.681  1.0
  H  H7  1  0.382  0.058  0.319  1.0
  H  H8  1  0.542  0.675  0.233  1.0
  H  H9  1  0.262  0.550  0.833  1.0
  H  H10  1  0.738  0.450  0.167  1.0
  H  H11  1  0.458  0.325  0.767  1.0
  H  H12  1  0.188  0.139  0.948  1.0
  H  H13  1  0.952  0.758  0.802  1.0
  H  H14  1  0.812  0.861  0.052  1.0
  H  H15  1  0.048  0.242  0.198  1.0
  H  H16  1  0.833  0.393  0.456  1.0
  H  H17  1  0.167  0.607  0.544  1.0
  O  O18  1  0.864  0.180  0.687  1.0
  O  O19  1  0.136  0.820  0.313  1.0
  O  O20  1  0.481  0.816  0.681  1.0
  O  O21  1  0.519  0.184  0.319  1.0
  O  O22  1  0.675  0.687  0.371  1.0
  O  O23  1  0.310  0.678  0.991  1.0
  O  O24  1  0.690  0.322  0.009  1.0
  O  O25  1  0.325  0.313  0.629  1.0
  O  O26  1  0.179  0.006  0.821  1.0
  O  O27  1  0.820  0.636  0.810  1.0
  O  O28  1  0.821  0.994  0.179  1.0
  O  O29  1  0.180  0.364  0.190  1.0
  O  O30  1  0.000  0.500  0.500  1.0
[/CIF]
.
The material structure described by (Fe(OH)3)4H2O crystallizes in the triclinic P-1 space group. The structure consists of one water molecule inside a Fe(OH)3 framework. In the Fe(OH)3 framework, there are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(4), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), and one H(6) atom. is represented by the CIF file [CIF]
data_Fe4H14O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.712
_cell_length_b   6.752
_cell_length_c   6.753
_cell_angle_alpha   108.183
_cell_angle_beta   110.263
_cell_angle_gamma   110.809
_symmetry_Int_Tables_number   1
_cell_volume   233.018
_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  0.000  0.500  0.000  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  H  H4  1  0.739  0.182  0.555  1.0
  H  H5  1  0.261  0.818  0.445  1.0
  H  H6  1  0.618  0.942  0.681  1.0
  H  H7  1  0.382  0.058  0.319  1.0
  H  H8  1  0.542  0.675  0.233  1.0
  H  H9  1  0.262  0.550  0.833  1.0
  H  H10  1  0.738  0.450  0.167  1.0
  H  H11  1  0.458  0.325  0.767  1.0
  H  H12  1  0.188  0.139  0.948  1.0
  H  H13  1  0.952  0.758  0.802  1.0
  H  H14  1  0.812  0.861  0.052  1.0
  H  H15  1  0.048  0.242  0.198  1.0
  H  H16  1  0.833  0.393  0.456  1.0
  H  H17  1  0.167  0.607  0.544  1.0
  O  O18  1  0.864  0.180  0.687  1.0
  O  O19  1  0.136  0.820  0.313  1.0
  O  O20  1  0.481  0.816  0.681  1.0
  O  O21  1  0.519  0.184  0.319  1.0
  O  O22  1  0.675  0.687  0.371  1.0
  O  O23  1  0.310  0.678  0.991  1.0
  O  O24  1  0.690  0.322  0.009  1.0
  O  O25  1  0.325  0.313  0.629  1.0
  O  O26  1  0.179  0.006  0.821  1.0
  O  O27  1  0.820  0.636  0.810  1.0
  O  O28  1  0.821  0.994  0.179  1.0
  O  O29  1  0.180  0.364  0.190  1.0
  O  O30  1  0.000  0.500  0.500  1.0
[/CIF]
.