The material structure described by Na2FeH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Fe(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one S(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Fe(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_Na2FeH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.262
_cell_length_b   5.550
_cell_length_c   5.814
_cell_angle_alpha   73.488
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.338
_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
  Na  Na0  1  0.618  0.240  0.577  1.0
  Na  Na1  1  0.118  0.260  0.423  1.0
  Na  Na2  1  0.382  0.760  0.423  1.0
  Na  Na3  1  0.882  0.740  0.577  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.201  0.993  0.090  1.0
  H  H7  1  0.701  0.507  0.910  1.0
  H  H8  1  0.799  0.007  0.910  1.0
  H  H9  1  0.299  0.493  0.090  1.0
  H  H10  1  0.150  0.817  0.324  1.0
  H  H11  1  0.650  0.683  0.676  1.0
  H  H12  1  0.850  0.183  0.676  1.0
  H  H13  1  0.350  0.317  0.324  1.0
  S  S14  1  0.617  0.925  0.223  1.0
  S  S15  1  0.117  0.575  0.777  1.0
  S  S16  1  0.383  0.075  0.777  1.0
  S  S17  1  0.883  0.425  0.223  1.0
  O  O18  1  0.672  0.985  0.994  1.0
  O  O19  1  0.172  0.515  0.006  1.0
  O  O20  1  0.328  0.015  0.006  1.0
  O  O21  1  0.828  0.485  0.994  1.0
  O  O22  1  0.559  0.682  0.261  1.0
  O  O23  1  0.059  0.818  0.739  1.0
  O  O24  1  0.441  0.318  0.739  1.0
  O  O25  1  0.941  0.182  0.261  1.0
  O  O26  1  0.544  0.130  0.228  1.0
  O  O27  1  0.044  0.370  0.772  1.0
  O  O28  1  0.456  0.870  0.772  1.0
  O  O29  1  0.956  0.630  0.228  1.0
  O  O30  1  0.687  0.896  0.430  1.0
  O  O31  1  0.187  0.604  0.570  1.0
  O  O32  1  0.313  0.104  0.570  1.0
  O  O33  1  0.813  0.396  0.430  1.0
  O  O34  1  0.639  0.527  0.812  1.0
  O  O35  1  0.139  0.973  0.188  1.0
  O  O36  1  0.361  0.473  0.188  1.0
  O  O37  1  0.861  0.027  0.812  1.0
[/CIF]
.
The material structure described by Na2FeH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Fe(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one S(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Fe(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_Na2FeH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.262
_cell_length_b   5.550
_cell_length_c   5.814
_cell_angle_alpha   73.488
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.338
_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
  Na  Na0  1  0.618  0.240  0.577  1.0
  Na  Na1  1  0.118  0.260  0.423  1.0
  Na  Na2  1  0.382  0.760  0.423  1.0
  Na  Na3  1  0.882  0.740  0.577  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.201  0.993  0.090  1.0
  H  H7  1  0.701  0.507  0.910  1.0
  H  H8  1  0.799  0.007  0.910  1.0
  H  H9  1  0.299  0.493  0.090  1.0
  H  H10  1  0.150  0.817  0.324  1.0
  H  H11  1  0.650  0.683  0.676  1.0
  H  H12  1  0.850  0.183  0.676  1.0
  H  H13  1  0.350  0.317  0.324  1.0
  S  S14  1  0.617  0.925  0.223  1.0
  S  S15  1  0.117  0.575  0.777  1.0
  S  S16  1  0.383  0.075  0.777  1.0
  S  S17  1  0.883  0.425  0.223  1.0
  O  O18  1  0.672  0.985  0.994  1.0
  O  O19  1  0.172  0.515  0.006  1.0
  O  O20  1  0.328  0.015  0.006  1.0
  O  O21  1  0.828  0.485  0.994  1.0
  O  O22  1  0.559  0.682  0.261  1.0
  O  O23  1  0.059  0.818  0.739  1.0
  O  O24  1  0.441  0.318  0.739  1.0
  O  O25  1  0.941  0.182  0.261  1.0
  O  O26  1  0.544  0.130  0.228  1.0
  O  O27  1  0.044  0.370  0.772  1.0
  O  O28  1  0.456  0.870  0.772  1.0
  O  O29  1  0.956  0.630  0.228  1.0
  O  O30  1  0.687  0.896  0.430  1.0
  O  O31  1  0.187  0.604  0.570  1.0
  O  O32  1  0.313  0.104  0.570  1.0
  O  O33  1  0.813  0.396  0.430  1.0
  O  O34  1  0.639  0.527  0.812  1.0
  O  O35  1  0.139  0.973  0.188  1.0
  O  O36  1  0.361  0.473  0.188  1.0
  O  O37  1  0.861  0.027  0.812  1.0
[/CIF]
.