The compound described by MgH8SO8H2H2O crystallizes in the triclinic P1 space group. The structure consists of one 1333-74-0 molecule and one water molecule inside a MgH8SO8 framework. In the MgH8SO8 framework, Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(7), and one O(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(12) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(9) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(5), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one H(12), one H(2), and one H(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mg(1), one H(4), and one O(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one H(1), one H(2), and one O(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one H(3), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one H(4) and one S(1) atom. In the sixth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the seventh O site, O(8) is bonded in a water-like geometry to one H(8) and one S(1) atom. In the eighth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(12) atom. is represented by the CIF card [CIF]
data_MgH12SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.896
_cell_length_b   6.299
_cell_length_c   6.821
_cell_angle_alpha   116.189
_cell_angle_beta   92.090
_cell_angle_gamma   90.865
_symmetry_Int_Tables_number   1
_cell_volume   188.540
_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
  Mg  Mg0  1  0.984  0.216  0.575  1.0
  H  H1  1  0.443  0.136  0.434  1.0
  H  H2  1  0.412  0.558  0.494  1.0
  H  H3  1  0.396  0.460  0.899  1.0
  H  H4  1  0.748  0.257  0.221  1.0
  H  H5  1  0.110  0.633  0.474  1.0
  H  H6  1  0.551  0.781  0.178  1.0
  H  H7  1  0.141  0.377  0.977  1.0
  H  H8  1  0.923  0.743  0.961  1.0
  H  H9  1  0.714  0.586  0.204  1.0
  H  H10  1  0.179  0.157  0.082  1.0
  H  H11  1  0.197  0.283  0.168  1.0
  H  H12  1  0.315  0.884  0.425  1.0
  S  S13  1  0.698  0.907  0.792  1.0
  O  O14  1  0.293  0.632  0.421  1.0
  O  O15  1  0.826  0.368  0.376  1.0
  O  O16  1  0.628  0.358  0.533  1.0
  O  O17  1  0.201  0.408  0.857  1.0
  O  O18  1  0.658  0.146  0.978  1.0
  O  O19  1  0.672  0.651  0.099  1.0
  O  O20  1  0.811  0.947  0.605  1.0
  O  O21  1  0.981  0.812  0.862  1.0
  O  O22  1  0.278  0.018  0.384  1.0
[/CIF]
.
The compound described by MgH8SO8H2H2O crystallizes in the triclinic P1 space group. The structure consists of one 1333-74-0 molecule and one water molecule inside a MgH8SO8 framework. In the MgH8SO8 framework, Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(7), and one O(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(12) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(9) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(5), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one H(12), one H(2), and one H(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mg(1), one H(4), and one O(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one H(1), one H(2), and one O(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one H(3), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one H(4) and one S(1) atom. In the sixth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the seventh O site, O(8) is bonded in a water-like geometry to one H(8) and one S(1) atom. In the eighth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(12) atom. is represented by the CIF card [CIF]
data_MgH12SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.896
_cell_length_b   6.299
_cell_length_c   6.821
_cell_angle_alpha   116.189
_cell_angle_beta   92.090
_cell_angle_gamma   90.865
_symmetry_Int_Tables_number   1
_cell_volume   188.540
_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
  Mg  Mg0  1  0.984  0.216  0.575  1.0
  H  H1  1  0.443  0.136  0.434  1.0
  H  H2  1  0.412  0.558  0.494  1.0
  H  H3  1  0.396  0.460  0.899  1.0
  H  H4  1  0.748  0.257  0.221  1.0
  H  H5  1  0.110  0.633  0.474  1.0
  H  H6  1  0.551  0.781  0.178  1.0
  H  H7  1  0.141  0.377  0.977  1.0
  H  H8  1  0.923  0.743  0.961  1.0
  H  H9  1  0.714  0.586  0.204  1.0
  H  H10  1  0.179  0.157  0.082  1.0
  H  H11  1  0.197  0.283  0.168  1.0
  H  H12  1  0.315  0.884  0.425  1.0
  S  S13  1  0.698  0.907  0.792  1.0
  O  O14  1  0.293  0.632  0.421  1.0
  O  O15  1  0.826  0.368  0.376  1.0
  O  O16  1  0.628  0.358  0.533  1.0
  O  O17  1  0.201  0.408  0.857  1.0
  O  O18  1  0.658  0.146  0.978  1.0
  O  O19  1  0.672  0.651  0.099  1.0
  O  O20  1  0.811  0.947  0.605  1.0
  O  O21  1  0.981  0.812  0.862  1.0
  O  O22  1  0.278  0.018  0.384  1.0
[/CIF]
.