The crystal structure described by Mn5H6SO12H2 crystallizes in the triclinic P-1 space group. The structure consists of two 1333-74-0 molecules inside a Mn5H6SO12 framework. In the Mn5H6SO12 framework, there are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one H(7), one O(10), one O(6), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(4), one O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one O(6), and two equivalent O(11) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one H(1), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Mn(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one Mn(1) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one O(8) atom. S(1) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one O(6) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(4), one Mn(5), and one H(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(5), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(3), one Mn(4), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one O(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Mn(2) and one S(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Mn(1), two equivalent Mn(3), and one H(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one S(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms. In the twelfth O site, O(12) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_Mn5H8SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.685
_cell_length_b   8.819
_cell_length_c   9.392
_cell_angle_alpha   100.647
_cell_angle_beta   110.481
_cell_angle_gamma   95.173
_symmetry_Int_Tables_number   1
_cell_volume   577.682
_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
  Mn  Mn0  1  0.051  0.247  0.631  1.0
  Mn  Mn1  1  0.701  0.937  0.774  1.0
  Mn  Mn2  1  0.005  0.404  0.310  1.0
  Mn  Mn3  1  0.007  0.665  0.029  1.0
  Mn  Mn4  1  0.314  0.956  0.882  1.0
  Mn  Mn5  1  0.949  0.753  0.369  1.0
  Mn  Mn6  1  0.993  0.335  0.971  1.0
  Mn  Mn7  1  0.299  0.063  0.226  1.0
  Mn  Mn8  1  0.686  0.044  0.118  1.0
  Mn  Mn9  1  0.995  0.596  0.690  1.0
  H  H10  1  0.362  0.069  0.785  1.0
  H  H11  1  0.704  0.642  0.764  1.0
  H  H12  1  0.403  0.579  0.938  1.0
  H  H13  1  0.715  0.242  0.344  1.0
  H  H14  1  0.531  0.360  0.072  1.0
  H  H15  1  0.285  0.758  0.656  1.0
  H  H16  1  0.063  0.905  0.968  1.0
  H  H17  1  0.469  0.640  0.928  1.0
  H  H18  1  0.787  0.850  0.392  1.0
  H  H19  1  0.213  0.150  0.608  1.0
  H  H20  1  0.937  0.095  0.032  1.0
  H  H21  1  0.597  0.421  0.062  1.0
  H  H22  1  0.296  0.358  0.236  1.0
  H  H23  1  0.638  0.931  0.215  1.0
  H  H24  1  0.286  0.429  0.600  1.0
  H  H25  1  0.714  0.571  0.400  1.0
  S  S26  1  0.388  0.732  0.407  1.0
  S  S27  1  0.612  0.268  0.593  1.0
  O  O28  1  0.554  0.899  0.922  1.0
  O  O29  1  0.060  0.028  0.825  1.0
  O  O30  1  0.168  0.854  0.021  1.0
  O  O31  1  0.185  0.789  0.692  1.0
  O  O32  1  0.940  0.972  0.175  1.0
  O  O33  1  0.822  0.716  0.801  1.0
  O  O34  1  0.915  0.807  0.169  1.0
  O  O35  1  0.815  0.211  0.308  1.0
  O  O36  1  0.381  0.876  0.348  1.0
  O  O37  1  0.853  0.579  0.436  1.0
  O  O38  1  0.446  0.101  0.078  1.0
  O  O39  1  0.486  0.771  0.580  1.0
  O  O40  1  0.815  0.340  0.623  1.0
  O  O41  1  0.147  0.421  0.564  1.0
  O  O42  1  0.917  0.491  0.097  1.0
  O  O43  1  0.619  0.124  0.652  1.0
  O  O44  1  0.466  0.612  0.330  1.0
  O  O45  1  0.185  0.660  0.377  1.0
  O  O46  1  0.083  0.509  0.903  1.0
  O  O47  1  0.178  0.284  0.199  1.0
  O  O48  1  0.085  0.193  0.831  1.0
  O  O49  1  0.534  0.388  0.670  1.0
  O  O50  1  0.514  0.229  0.420  1.0
  O  O51  1  0.832  0.146  0.979  1.0
[/CIF]
.
The crystal structure described by Mn5H6SO12H2 crystallizes in the triclinic P-1 space group. The structure consists of two 1333-74-0 molecules inside a Mn5H6SO12 framework. In the Mn5H6SO12 framework, there are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one H(7), one O(10), one O(6), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(4), one O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one O(6), and two equivalent O(11) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one H(1), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Mn(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one Mn(1) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one O(8) atom. S(1) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one O(6) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(4), one Mn(5), and one H(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(5), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(3), one Mn(4), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one O(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Mn(2) and one S(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Mn(1), two equivalent Mn(3), and one H(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one S(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms. In the twelfth O site, O(12) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_Mn5H8SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.685
_cell_length_b   8.819
_cell_length_c   9.392
_cell_angle_alpha   100.647
_cell_angle_beta   110.481
_cell_angle_gamma   95.173
_symmetry_Int_Tables_number   1
_cell_volume   577.682
_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
  Mn  Mn0  1  0.051  0.247  0.631  1.0
  Mn  Mn1  1  0.701  0.937  0.774  1.0
  Mn  Mn2  1  0.005  0.404  0.310  1.0
  Mn  Mn3  1  0.007  0.665  0.029  1.0
  Mn  Mn4  1  0.314  0.956  0.882  1.0
  Mn  Mn5  1  0.949  0.753  0.369  1.0
  Mn  Mn6  1  0.993  0.335  0.971  1.0
  Mn  Mn7  1  0.299  0.063  0.226  1.0
  Mn  Mn8  1  0.686  0.044  0.118  1.0
  Mn  Mn9  1  0.995  0.596  0.690  1.0
  H  H10  1  0.362  0.069  0.785  1.0
  H  H11  1  0.704  0.642  0.764  1.0
  H  H12  1  0.403  0.579  0.938  1.0
  H  H13  1  0.715  0.242  0.344  1.0
  H  H14  1  0.531  0.360  0.072  1.0
  H  H15  1  0.285  0.758  0.656  1.0
  H  H16  1  0.063  0.905  0.968  1.0
  H  H17  1  0.469  0.640  0.928  1.0
  H  H18  1  0.787  0.850  0.392  1.0
  H  H19  1  0.213  0.150  0.608  1.0
  H  H20  1  0.937  0.095  0.032  1.0
  H  H21  1  0.597  0.421  0.062  1.0
  H  H22  1  0.296  0.358  0.236  1.0
  H  H23  1  0.638  0.931  0.215  1.0
  H  H24  1  0.286  0.429  0.600  1.0
  H  H25  1  0.714  0.571  0.400  1.0
  S  S26  1  0.388  0.732  0.407  1.0
  S  S27  1  0.612  0.268  0.593  1.0
  O  O28  1  0.554  0.899  0.922  1.0
  O  O29  1  0.060  0.028  0.825  1.0
  O  O30  1  0.168  0.854  0.021  1.0
  O  O31  1  0.185  0.789  0.692  1.0
  O  O32  1  0.940  0.972  0.175  1.0
  O  O33  1  0.822  0.716  0.801  1.0
  O  O34  1  0.915  0.807  0.169  1.0
  O  O35  1  0.815  0.211  0.308  1.0
  O  O36  1  0.381  0.876  0.348  1.0
  O  O37  1  0.853  0.579  0.436  1.0
  O  O38  1  0.446  0.101  0.078  1.0
  O  O39  1  0.486  0.771  0.580  1.0
  O  O40  1  0.815  0.340  0.623  1.0
  O  O41  1  0.147  0.421  0.564  1.0
  O  O42  1  0.917  0.491  0.097  1.0
  O  O43  1  0.619  0.124  0.652  1.0
  O  O44  1  0.466  0.612  0.330  1.0
  O  O45  1  0.185  0.660  0.377  1.0
  O  O46  1  0.083  0.509  0.903  1.0
  O  O47  1  0.178  0.284  0.199  1.0
  O  O48  1  0.085  0.193  0.831  1.0
  O  O49  1  0.534  0.388  0.670  1.0
  O  O50  1  0.514  0.229  0.420  1.0
  O  O51  1  0.832  0.146  0.979  1.0
[/CIF]
.