The material described by Mg(H2O)6(CH3)2(H2O)6(SO3)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six 02329_fluka molecules, six sulfur trioxide molecules, eighteen water molecules, and three Mg(H2O)6 clusters. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgH30C2(SO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.979
_cell_length_b   8.979
_cell_length_c   8.979
_cell_angle_alpha   63.266
_cell_angle_beta   63.266
_cell_angle_gamma   63.266
_symmetry_Int_Tables_number   1
_cell_volume   548.978
_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  0.000  0.000  0.000  1.0
  H  H1  1  0.123  0.077  0.643  1.0
  H  H2  1  0.643  0.123  0.077  1.0
  H  H3  1  0.077  0.643  0.123  1.0
  H  H4  1  0.877  0.923  0.357  1.0
  H  H5  1  0.357  0.877  0.923  1.0
  H  H6  1  0.923  0.357  0.877  1.0
  H  H7  1  0.118  0.880  0.719  1.0
  H  H8  1  0.719  0.118  0.880  1.0
  H  H9  1  0.880  0.719  0.118  1.0
  H  H10  1  0.882  0.120  0.281  1.0
  H  H11  1  0.281  0.882  0.120  1.0
  H  H12  1  0.120  0.281  0.882  1.0
  H  H13  1  0.276  0.496  0.404  1.0
  H  H14  1  0.404  0.276  0.496  1.0
  H  H15  1  0.496  0.404  0.276  1.0
  H  H16  1  0.724  0.504  0.596  1.0
  H  H17  1  0.596  0.724  0.504  1.0
  H  H18  1  0.504  0.596  0.724  1.0
  H  H19  1  0.058  0.719  0.614  1.0
  H  H20  1  0.614  0.058  0.719  1.0
  H  H21  1  0.719  0.614  0.058  1.0
  H  H22  1  0.942  0.281  0.386  1.0
  H  H23  1  0.386  0.942  0.281  1.0
  H  H24  1  0.281  0.386  0.942  1.0
  H  H25  1  0.212  0.593  0.698  1.0
  H  H26  1  0.698  0.212  0.593  1.0
  H  H27  1  0.593  0.698  0.212  1.0
  H  H28  1  0.788  0.407  0.302  1.0
  H  H29  1  0.302  0.788  0.407  1.0
  H  H30  1  0.407  0.302  0.788  1.0
  C  C31  1  0.376  0.376  0.376  1.0
  C  C32  1  0.624  0.624  0.624  1.0
  S  S33  1  0.293  0.293  0.293  1.0
  S  S34  1  0.707  0.707  0.707  1.0
  O  O35  1  0.107  0.977  0.751  1.0
  O  O36  1  0.751  0.107  0.977  1.0
  O  O37  1  0.977  0.751  0.107  1.0
  O  O38  1  0.893  0.023  0.249  1.0
  O  O39  1  0.249  0.893  0.023  1.0
  O  O40  1  0.023  0.249  0.893  1.0
  O  O41  1  0.132  0.257  0.431  1.0
  O  O42  1  0.431  0.132  0.257  1.0
  O  O43  1  0.257  0.431  0.132  1.0
  O  O44  1  0.868  0.743  0.569  1.0
  O  O45  1  0.569  0.868  0.743  1.0
  O  O46  1  0.743  0.569  0.868  1.0
  O  O47  1  0.164  0.715  0.625  1.0
  O  O48  1  0.625  0.164  0.715  1.0
  O  O49  1  0.715  0.625  0.164  1.0
  O  O50  1  0.836  0.285  0.375  1.0
  O  O51  1  0.375  0.836  0.285  1.0
  O  O52  1  0.285  0.375  0.836  1.0
[/CIF]
.
The material described by Mg(H2O)6(CH3)2(H2O)6(SO3)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six 02329_fluka molecules, six sulfur trioxide molecules, eighteen water molecules, and three Mg(H2O)6 clusters. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgH30C2(SO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.979
_cell_length_b   8.979
_cell_length_c   8.979
_cell_angle_alpha   63.266
_cell_angle_beta   63.266
_cell_angle_gamma   63.266
_symmetry_Int_Tables_number   1
_cell_volume   548.978
_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  0.000  0.000  0.000  1.0
  H  H1  1  0.123  0.077  0.643  1.0
  H  H2  1  0.643  0.123  0.077  1.0
  H  H3  1  0.077  0.643  0.123  1.0
  H  H4  1  0.877  0.923  0.357  1.0
  H  H5  1  0.357  0.877  0.923  1.0
  H  H6  1  0.923  0.357  0.877  1.0
  H  H7  1  0.118  0.880  0.719  1.0
  H  H8  1  0.719  0.118  0.880  1.0
  H  H9  1  0.880  0.719  0.118  1.0
  H  H10  1  0.882  0.120  0.281  1.0
  H  H11  1  0.281  0.882  0.120  1.0
  H  H12  1  0.120  0.281  0.882  1.0
  H  H13  1  0.276  0.496  0.404  1.0
  H  H14  1  0.404  0.276  0.496  1.0
  H  H15  1  0.496  0.404  0.276  1.0
  H  H16  1  0.724  0.504  0.596  1.0
  H  H17  1  0.596  0.724  0.504  1.0
  H  H18  1  0.504  0.596  0.724  1.0
  H  H19  1  0.058  0.719  0.614  1.0
  H  H20  1  0.614  0.058  0.719  1.0
  H  H21  1  0.719  0.614  0.058  1.0
  H  H22  1  0.942  0.281  0.386  1.0
  H  H23  1  0.386  0.942  0.281  1.0
  H  H24  1  0.281  0.386  0.942  1.0
  H  H25  1  0.212  0.593  0.698  1.0
  H  H26  1  0.698  0.212  0.593  1.0
  H  H27  1  0.593  0.698  0.212  1.0
  H  H28  1  0.788  0.407  0.302  1.0
  H  H29  1  0.302  0.788  0.407  1.0
  H  H30  1  0.407  0.302  0.788  1.0
  C  C31  1  0.376  0.376  0.376  1.0
  C  C32  1  0.624  0.624  0.624  1.0
  S  S33  1  0.293  0.293  0.293  1.0
  S  S34  1  0.707  0.707  0.707  1.0
  O  O35  1  0.107  0.977  0.751  1.0
  O  O36  1  0.751  0.107  0.977  1.0
  O  O37  1  0.977  0.751  0.107  1.0
  O  O38  1  0.893  0.023  0.249  1.0
  O  O39  1  0.249  0.893  0.023  1.0
  O  O40  1  0.023  0.249  0.893  1.0
  O  O41  1  0.132  0.257  0.431  1.0
  O  O42  1  0.431  0.132  0.257  1.0
  O  O43  1  0.257  0.431  0.132  1.0
  O  O44  1  0.868  0.743  0.569  1.0
  O  O45  1  0.569  0.868  0.743  1.0
  O  O46  1  0.743  0.569  0.868  1.0
  O  O47  1  0.164  0.715  0.625  1.0
  O  O48  1  0.625  0.164  0.715  1.0
  O  O49  1  0.715  0.625  0.164  1.0
  O  O50  1  0.836  0.285  0.375  1.0
  O  O51  1  0.375  0.836  0.285  1.0
  O  O52  1  0.285  0.375  0.836  1.0
[/CIF]
.