The structure described by Na2H12O7SO4 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight sulfuric acid molecules inside a Na2H12O7 framework. In the Na2H12O7 framework, Na(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are six inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a linear geometry to two equivalent Na(1) atoms. In the second O site, O(6) is bonded in a distorted water-like geometry to one Na(1), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(3) atom. In the fourth O site, O(2) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2H12SO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.181
_cell_length_c   12.348
_cell_angle_alpha   73.088
_cell_angle_beta   73.088
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   580.328
_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  0.260  0.008  0.482  1.0
  Na  Na1  1  0.508  0.760  0.982  1.0
  Na  Na2  1  0.742  0.990  0.518  1.0
  Na  Na3  1  0.490  0.242  0.018  1.0
  H  H4  1  0.999  0.655  0.567  1.0
  H  H5  1  0.999  0.276  0.568  1.0
  H  H6  1  0.155  0.499  0.067  1.0
  H  H7  1  0.164  0.938  0.065  1.0
  H  H8  1  0.438  0.664  0.565  1.0
  H  H9  1  0.437  0.270  0.565  1.0
  H  H10  1  0.776  0.499  0.068  1.0
  H  H11  1  0.770  0.937  0.065  1.0
  H  H12  1  0.002  0.335  0.435  1.0
  H  H13  1  0.004  0.729  0.435  1.0
  H  H14  1  0.835  0.502  0.935  1.0
  H  H15  1  0.844  0.066  0.932  1.0
  H  H16  1  0.566  0.344  0.432  1.0
  H  H17  1  0.566  0.722  0.433  1.0
  H  H18  1  0.229  0.504  0.935  1.0
  H  H19  1  0.222  0.066  0.933  1.0
  H  H20  1  0.145  0.765  0.747  1.0
  H  H21  1  0.145  0.987  0.748  1.0
  H  H22  1  0.265  0.645  0.247  1.0
  H  H23  1  0.487  0.645  0.248  1.0
  H  H24  1  0.893  0.234  0.252  1.0
  H  H25  1  0.893  0.012  0.253  1.0
  H  H26  1  0.734  0.393  0.752  1.0
  H  H27  1  0.512  0.393  0.753  1.0
  S  S28  1  0.124  0.374  0.750  1.0
  S  S29  1  0.874  0.624  0.250  1.0
  O  O30  1  0.001  0.775  0.503  1.0
  O  O31  1  0.000  0.221  0.503  1.0
  O  O32  1  0.275  0.501  0.003  1.0
  O  O33  1  0.278  0.004  0.997  1.0
  O  O34  1  0.504  0.778  0.497  1.0
  O  O35  1  0.503  0.224  0.497  1.0
  O  O36  1  0.721  0.500  0.003  1.0
  O  O37  1  0.724  0.003  0.997  1.0
  O  O38  1  0.370  0.120  0.250  1.0
  O  O39  1  0.620  0.870  0.750  1.0
  O  O40  1  0.992  0.412  0.673  1.0
  O  O41  1  0.912  0.492  0.173  1.0
  O  O42  1  0.912  0.833  0.173  1.0
  O  O43  1  0.333  0.412  0.673  1.0
  O  O44  1  0.006  0.585  0.327  1.0
  O  O45  1  0.085  0.506  0.827  1.0
  O  O46  1  0.085  0.165  0.827  1.0
  O  O47  1  0.665  0.585  0.327  1.0
  O  O48  1  0.189  0.901  0.696  1.0
  O  O49  1  0.401  0.689  0.196  1.0
  O  O50  1  0.598  0.385  0.804  1.0
  O  O51  1  0.885  0.098  0.304  1.0
[/CIF]
.
The structure described by Na2H12O7SO4 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight sulfuric acid molecules inside a Na2H12O7 framework. In the Na2H12O7 framework, Na(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are six inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a linear geometry to two equivalent Na(1) atoms. In the second O site, O(6) is bonded in a distorted water-like geometry to one Na(1), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(3) atom. In the fourth O site, O(2) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2H12SO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.181
_cell_length_c   12.348
_cell_angle_alpha   73.088
_cell_angle_beta   73.088
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   580.328
_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  0.260  0.008  0.482  1.0
  Na  Na1  1  0.508  0.760  0.982  1.0
  Na  Na2  1  0.742  0.990  0.518  1.0
  Na  Na3  1  0.490  0.242  0.018  1.0
  H  H4  1  0.999  0.655  0.567  1.0
  H  H5  1  0.999  0.276  0.568  1.0
  H  H6  1  0.155  0.499  0.067  1.0
  H  H7  1  0.164  0.938  0.065  1.0
  H  H8  1  0.438  0.664  0.565  1.0
  H  H9  1  0.437  0.270  0.565  1.0
  H  H10  1  0.776  0.499  0.068  1.0
  H  H11  1  0.770  0.937  0.065  1.0
  H  H12  1  0.002  0.335  0.435  1.0
  H  H13  1  0.004  0.729  0.435  1.0
  H  H14  1  0.835  0.502  0.935  1.0
  H  H15  1  0.844  0.066  0.932  1.0
  H  H16  1  0.566  0.344  0.432  1.0
  H  H17  1  0.566  0.722  0.433  1.0
  H  H18  1  0.229  0.504  0.935  1.0
  H  H19  1  0.222  0.066  0.933  1.0
  H  H20  1  0.145  0.765  0.747  1.0
  H  H21  1  0.145  0.987  0.748  1.0
  H  H22  1  0.265  0.645  0.247  1.0
  H  H23  1  0.487  0.645  0.248  1.0
  H  H24  1  0.893  0.234  0.252  1.0
  H  H25  1  0.893  0.012  0.253  1.0
  H  H26  1  0.734  0.393  0.752  1.0
  H  H27  1  0.512  0.393  0.753  1.0
  S  S28  1  0.124  0.374  0.750  1.0
  S  S29  1  0.874  0.624  0.250  1.0
  O  O30  1  0.001  0.775  0.503  1.0
  O  O31  1  0.000  0.221  0.503  1.0
  O  O32  1  0.275  0.501  0.003  1.0
  O  O33  1  0.278  0.004  0.997  1.0
  O  O34  1  0.504  0.778  0.497  1.0
  O  O35  1  0.503  0.224  0.497  1.0
  O  O36  1  0.721  0.500  0.003  1.0
  O  O37  1  0.724  0.003  0.997  1.0
  O  O38  1  0.370  0.120  0.250  1.0
  O  O39  1  0.620  0.870  0.750  1.0
  O  O40  1  0.992  0.412  0.673  1.0
  O  O41  1  0.912  0.492  0.173  1.0
  O  O42  1  0.912  0.833  0.173  1.0
  O  O43  1  0.333  0.412  0.673  1.0
  O  O44  1  0.006  0.585  0.327  1.0
  O  O45  1  0.085  0.506  0.827  1.0
  O  O46  1  0.085  0.165  0.827  1.0
  O  O47  1  0.665  0.585  0.327  1.0
  O  O48  1  0.189  0.901  0.696  1.0
  O  O49  1  0.401  0.689  0.196  1.0
  O  O50  1  0.598  0.385  0.804  1.0
  O  O51  1  0.885  0.098  0.304  1.0
[/CIF]
.