The material described by Mn5H8SO12 crystallizes in the triclinic P-1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(7), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(6), one O(8), and two equivalent O(9) atoms. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(9) atom. S(1) is bonded to one O(10), one O(11), one O(12), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), one Mn(4), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(3), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(1), 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(5), two equivalent Mn(2), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(3), one Mn(4), and one H(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one S(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mn(3), one Mn(4), one Mn(5), and one H(7) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(5), two equivalent Mn(4), and one H(8) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Mn(5) and one S(1) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Mn(5) and one S(1) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5H8SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.725
_cell_length_b   8.695
_cell_length_c   8.710
_cell_angle_alpha   99.046
_cell_angle_beta   103.361
_cell_angle_gamma   99.089
_symmetry_Int_Tables_number   1
_cell_volume   550.504
_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  0.994  0.413  0.314  1.0
  Mn  Mn1  1  0.006  0.587  0.686  1.0
  Mn  Mn2  1  0.005  0.179  0.564  1.0
  Mn  Mn3  1  0.995  0.821  0.436  1.0
  Mn  Mn4  1  0.014  0.311  0.946  1.0
  Mn  Mn5  1  0.986  0.689  0.054  1.0
  Mn  Mn6  1  0.695  0.006  0.126  1.0
  Mn  Mn7  1  0.305  0.994  0.874  1.0
  Mn  Mn8  1  0.694  0.897  0.736  1.0
  Mn  Mn9  1  0.306  0.103  0.264  1.0
  H  H10  1  0.723  0.224  0.369  1.0
  H  H11  1  0.277  0.776  0.631  1.0
  H  H12  1  0.268  0.435  0.595  1.0
  H  H13  1  0.732  0.565  0.405  1.0
  H  H14  1  0.735  0.423  0.030  1.0
  H  H15  1  0.265  0.577  0.970  1.0
  H  H16  1  0.286  0.393  0.217  1.0
  H  H17  1  0.714  0.607  0.783  1.0
  H  H18  1  0.718  0.950  0.466  1.0
  H  H19  1  0.282  0.050  0.534  1.0
  H  H20  1  0.283  0.271  0.808  1.0
  H  H21  1  0.717  0.729  0.192  1.0
  H  H22  1  0.964  0.069  0.034  1.0
  H  H23  1  0.036  0.931  0.966  1.0
  H  H24  1  0.478  0.749  0.893  1.0
  H  H25  1  0.522  0.251  0.107  1.0
  S  S26  1  0.397  0.732  0.348  1.0
  S  S27  1  0.603  0.268  0.652  1.0
  O  O28  1  0.828  0.194  0.333  1.0
  O  O29  1  0.172  0.806  0.667  1.0
  O  O30  1  0.136  0.420  0.562  1.0
  O  O31  1  0.864  0.580  0.438  1.0
  O  O32  1  0.865  0.454  0.079  1.0
  O  O33  1  0.135  0.546  0.921  1.0
  O  O34  1  0.180  0.306  0.195  1.0
  O  O35  1  0.820  0.694  0.805  1.0
  O  O36  1  0.825  0.954  0.554  1.0
  O  O37  1  0.175  0.046  0.446  1.0
  O  O38  1  0.178  0.190  0.807  1.0
  O  O39  1  0.822  0.810  0.193  1.0
  O  O40  1  0.810  0.307  0.699  1.0
  O  O41  1  0.190  0.693  0.301  1.0
  O  O42  1  0.854  0.082  0.960  1.0
  O  O43  1  0.146  0.918  0.040  1.0
  O  O44  1  0.522  0.861  0.899  1.0
  O  O45  1  0.478  0.139  0.101  1.0
  O  O46  1  0.458  0.742  0.526  1.0
  O  O47  1  0.542  0.258  0.474  1.0
  O  O48  1  0.539  0.110  0.692  1.0
  O  O49  1  0.461  0.890  0.308  1.0
  O  O50  1  0.466  0.606  0.259  1.0
  O  O51  1  0.534  0.394  0.741  1.0
[/CIF]
.
The material described by Mn5H8SO12 crystallizes in the triclinic P-1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(7), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(6), one O(8), and two equivalent O(9) atoms. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(9) atom. S(1) is bonded to one O(10), one O(11), one O(12), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), one Mn(4), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(3), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(1), 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(5), two equivalent Mn(2), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mn(2), one Mn(3), one Mn(4), and one H(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one S(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mn(3), one Mn(4), one Mn(5), and one H(7) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(5), two equivalent Mn(4), and one H(8) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Mn(5) and one S(1) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Mn(5) and one S(1) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5H8SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.725
_cell_length_b   8.695
_cell_length_c   8.710
_cell_angle_alpha   99.046
_cell_angle_beta   103.361
_cell_angle_gamma   99.089
_symmetry_Int_Tables_number   1
_cell_volume   550.504
_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  0.994  0.413  0.314  1.0
  Mn  Mn1  1  0.006  0.587  0.686  1.0
  Mn  Mn2  1  0.005  0.179  0.564  1.0
  Mn  Mn3  1  0.995  0.821  0.436  1.0
  Mn  Mn4  1  0.014  0.311  0.946  1.0
  Mn  Mn5  1  0.986  0.689  0.054  1.0
  Mn  Mn6  1  0.695  0.006  0.126  1.0
  Mn  Mn7  1  0.305  0.994  0.874  1.0
  Mn  Mn8  1  0.694  0.897  0.736  1.0
  Mn  Mn9  1  0.306  0.103  0.264  1.0
  H  H10  1  0.723  0.224  0.369  1.0
  H  H11  1  0.277  0.776  0.631  1.0
  H  H12  1  0.268  0.435  0.595  1.0
  H  H13  1  0.732  0.565  0.405  1.0
  H  H14  1  0.735  0.423  0.030  1.0
  H  H15  1  0.265  0.577  0.970  1.0
  H  H16  1  0.286  0.393  0.217  1.0
  H  H17  1  0.714  0.607  0.783  1.0
  H  H18  1  0.718  0.950  0.466  1.0
  H  H19  1  0.282  0.050  0.534  1.0
  H  H20  1  0.283  0.271  0.808  1.0
  H  H21  1  0.717  0.729  0.192  1.0
  H  H22  1  0.964  0.069  0.034  1.0
  H  H23  1  0.036  0.931  0.966  1.0
  H  H24  1  0.478  0.749  0.893  1.0
  H  H25  1  0.522  0.251  0.107  1.0
  S  S26  1  0.397  0.732  0.348  1.0
  S  S27  1  0.603  0.268  0.652  1.0
  O  O28  1  0.828  0.194  0.333  1.0
  O  O29  1  0.172  0.806  0.667  1.0
  O  O30  1  0.136  0.420  0.562  1.0
  O  O31  1  0.864  0.580  0.438  1.0
  O  O32  1  0.865  0.454  0.079  1.0
  O  O33  1  0.135  0.546  0.921  1.0
  O  O34  1  0.180  0.306  0.195  1.0
  O  O35  1  0.820  0.694  0.805  1.0
  O  O36  1  0.825  0.954  0.554  1.0
  O  O37  1  0.175  0.046  0.446  1.0
  O  O38  1  0.178  0.190  0.807  1.0
  O  O39  1  0.822  0.810  0.193  1.0
  O  O40  1  0.810  0.307  0.699  1.0
  O  O41  1  0.190  0.693  0.301  1.0
  O  O42  1  0.854  0.082  0.960  1.0
  O  O43  1  0.146  0.918  0.040  1.0
  O  O44  1  0.522  0.861  0.899  1.0
  O  O45  1  0.478  0.139  0.101  1.0
  O  O46  1  0.458  0.742  0.526  1.0
  O  O47  1  0.542  0.258  0.474  1.0
  O  O48  1  0.539  0.110  0.692  1.0
  O  O49  1  0.461  0.890  0.308  1.0
  O  O50  1  0.466  0.606  0.259  1.0
  O  O51  1  0.534  0.394  0.741  1.0
[/CIF]
.