The crystal structure described by FeH8(O2Br)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two dibromoiron;tetrahydrate molecules. Fe(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Br(1) atoms. There are four 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) 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 distorted water-like geometry to one Fe(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Fe(1), one H(3), and one H(4) atom. Br(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_FeH8(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   6.139
_cell_length_c   8.794
_cell_angle_alpha   68.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.139
_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  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.706  0.633  0.495  1.0
  H  H3  1  0.206  0.367  0.005  1.0
  H  H4  1  0.294  0.367  0.505  1.0
  H  H5  1  0.794  0.633  0.995  1.0
  H  H6  1  0.701  0.623  0.675  1.0
  H  H7  1  0.201  0.377  0.825  1.0
  H  H8  1  0.299  0.377  0.325  1.0
  H  H9  1  0.799  0.623  0.175  1.0
  H  H10  1  0.568  0.109  0.163  1.0
  H  H11  1  0.068  0.891  0.337  1.0
  H  H12  1  0.432  0.891  0.837  1.0
  H  H13  1  0.932  0.109  0.663  1.0
  H  H14  1  0.426  0.909  0.212  1.0
  H  H15  1  0.926  0.091  0.288  1.0
  H  H16  1  0.074  0.909  0.712  1.0
  H  H17  1  0.574  0.091  0.788  1.0
  Br  Br18  1  0.230  0.688  0.579  1.0
  Br  Br19  1  0.730  0.312  0.921  1.0
  Br  Br20  1  0.270  0.688  0.079  1.0
  Br  Br21  1  0.770  0.312  0.421  1.0
  O  O22  1  0.690  0.732  0.561  1.0
  O  O23  1  0.190  0.268  0.939  1.0
  O  O24  1  0.310  0.268  0.439  1.0
  O  O25  1  0.810  0.732  0.061  1.0
  O  O26  1  0.495  0.009  0.255  1.0
  O  O27  1  0.995  0.991  0.245  1.0
  O  O28  1  0.505  0.991  0.745  1.0
  O  O29  1  0.005  0.009  0.755  1.0
[/CIF]
.
The crystal structure described by FeH8(O2Br)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two dibromoiron;tetrahydrate molecules. Fe(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Br(1) atoms. There are four 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) 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 distorted water-like geometry to one Fe(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Fe(1), one H(3), and one H(4) atom. Br(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_FeH8(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   6.139
_cell_length_c   8.794
_cell_angle_alpha   68.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.139
_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  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.706  0.633  0.495  1.0
  H  H3  1  0.206  0.367  0.005  1.0
  H  H4  1  0.294  0.367  0.505  1.0
  H  H5  1  0.794  0.633  0.995  1.0
  H  H6  1  0.701  0.623  0.675  1.0
  H  H7  1  0.201  0.377  0.825  1.0
  H  H8  1  0.299  0.377  0.325  1.0
  H  H9  1  0.799  0.623  0.175  1.0
  H  H10  1  0.568  0.109  0.163  1.0
  H  H11  1  0.068  0.891  0.337  1.0
  H  H12  1  0.432  0.891  0.837  1.0
  H  H13  1  0.932  0.109  0.663  1.0
  H  H14  1  0.426  0.909  0.212  1.0
  H  H15  1  0.926  0.091  0.288  1.0
  H  H16  1  0.074  0.909  0.712  1.0
  H  H17  1  0.574  0.091  0.788  1.0
  Br  Br18  1  0.230  0.688  0.579  1.0
  Br  Br19  1  0.730  0.312  0.921  1.0
  Br  Br20  1  0.270  0.688  0.079  1.0
  Br  Br21  1  0.770  0.312  0.421  1.0
  O  O22  1  0.690  0.732  0.561  1.0
  O  O23  1  0.190  0.268  0.939  1.0
  O  O24  1  0.310  0.268  0.439  1.0
  O  O25  1  0.810  0.732  0.061  1.0
  O  O26  1  0.495  0.009  0.255  1.0
  O  O27  1  0.995  0.991  0.245  1.0
  O  O28  1  0.505  0.991  0.745  1.0
  O  O29  1  0.005  0.009  0.755  1.0
[/CIF]
.