The compound described by FeCl2(H2O)4 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(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) and one Cl(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one Cl(1) 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. Cl(1) is bonded in a 3-coordinate geometry to one Fe(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_FeH8(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   5.832
_cell_length_c   9.184
_cell_angle_alpha   65.205
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.167
_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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.506  0.916  0.846  1.0
  H  H3  1  0.006  0.084  0.654  1.0
  H  H4  1  0.494  0.084  0.154  1.0
  H  H5  1  0.994  0.916  0.346  1.0
  H  H6  1  0.183  0.101  0.736  1.0
  H  H7  1  0.683  0.899  0.764  1.0
  H  H8  1  0.817  0.899  0.264  1.0
  H  H9  1  0.317  0.101  0.236  1.0
  H  H10  1  0.702  0.405  0.486  1.0
  H  H11  1  0.202  0.595  0.014  1.0
  H  H12  1  0.298  0.595  0.514  1.0
  H  H13  1  0.798  0.405  0.986  1.0
  H  H14  1  0.721  0.394  0.318  1.0
  H  H15  1  0.221  0.606  0.182  1.0
  H  H16  1  0.279  0.606  0.682  1.0
  H  H17  1  0.779  0.394  0.818  1.0
  Cl  Cl18  1  0.753  0.675  0.577  1.0
  Cl  Cl19  1  0.253  0.325  0.923  1.0
  Cl  Cl20  1  0.247  0.325  0.423  1.0
  Cl  Cl21  1  0.747  0.675  0.077  1.0
  O  O22  1  0.563  0.979  0.741  1.0
  O  O23  1  0.063  0.021  0.759  1.0
  O  O24  1  0.437  0.021  0.259  1.0
  O  O25  1  0.937  0.979  0.241  1.0
  O  O26  1  0.702  0.286  0.434  1.0
  O  O27  1  0.202  0.714  0.066  1.0
  O  O28  1  0.298  0.714  0.566  1.0
  O  O29  1  0.798  0.286  0.934  1.0
[/CIF]
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The compound described by FeCl2(H2O)4 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(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) and one Cl(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one Cl(1) 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. Cl(1) is bonded in a 3-coordinate geometry to one Fe(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_FeH8(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   5.832
_cell_length_c   9.184
_cell_angle_alpha   65.205
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.167
_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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.506  0.916  0.846  1.0
  H  H3  1  0.006  0.084  0.654  1.0
  H  H4  1  0.494  0.084  0.154  1.0
  H  H5  1  0.994  0.916  0.346  1.0
  H  H6  1  0.183  0.101  0.736  1.0
  H  H7  1  0.683  0.899  0.764  1.0
  H  H8  1  0.817  0.899  0.264  1.0
  H  H9  1  0.317  0.101  0.236  1.0
  H  H10  1  0.702  0.405  0.486  1.0
  H  H11  1  0.202  0.595  0.014  1.0
  H  H12  1  0.298  0.595  0.514  1.0
  H  H13  1  0.798  0.405  0.986  1.0
  H  H14  1  0.721  0.394  0.318  1.0
  H  H15  1  0.221  0.606  0.182  1.0
  H  H16  1  0.279  0.606  0.682  1.0
  H  H17  1  0.779  0.394  0.818  1.0
  Cl  Cl18  1  0.753  0.675  0.577  1.0
  Cl  Cl19  1  0.253  0.325  0.923  1.0
  Cl  Cl20  1  0.247  0.325  0.423  1.0
  Cl  Cl21  1  0.747  0.675  0.077  1.0
  O  O22  1  0.563  0.979  0.741  1.0
  O  O23  1  0.063  0.021  0.759  1.0
  O  O24  1  0.437  0.021  0.259  1.0
  O  O25  1  0.937  0.979  0.241  1.0
  O  O26  1  0.702  0.286  0.434  1.0
  O  O27  1  0.202  0.714  0.066  1.0
  O  O28  1  0.298  0.714  0.566  1.0
  O  O29  1  0.798  0.286  0.934  1.0
[/CIF]
.