The material described by Mn6HO12 crystallizes in the monoclinic Cc space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. H(1) is bonded in a single-bond geometry to one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(5), one Mn(6), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_Mn6HO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   5.396
_cell_length_c   13.647
_cell_angle_alpha   87.645
_cell_angle_beta   87.645
_cell_angle_gamma   64.625
_symmetry_Int_Tables_number   1
_cell_volume   358.540
_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  0.746  0.499  0.502  1.0
  Mn  Mn1  1  0.252  0.999  0.501  1.0
  Mn  Mn2  1  0.480  0.231  0.156  1.0
  Mn  Mn3  1  0.988  0.738  0.160  1.0
  Mn  Mn4  1  0.519  0.257  0.845  1.0
  Mn  Mn5  1  0.008  0.769  0.845  1.0
  Mn  Mn6  1  0.499  0.746  0.002  1.0
  Mn  Mn7  1  0.999  0.252  0.001  1.0
  Mn  Mn8  1  0.738  0.988  0.660  1.0
  Mn  Mn9  1  0.231  0.480  0.656  1.0
  Mn  Mn10  1  0.769  0.008  0.345  1.0
  Mn  Mn11  1  0.257  0.519  0.345  1.0
  H  H12  1  0.716  0.475  0.257  1.0
  H  H13  1  0.475  0.716  0.757  1.0
  O  O14  1  0.666  0.412  0.934  1.0
  O  O15  1  0.163  0.916  0.934  1.0
  O  O16  1  0.333  0.084  0.069  1.0
  O  O17  1  0.835  0.585  0.069  1.0
  O  O18  1  0.412  0.666  0.434  1.0
  O  O19  1  0.916  0.163  0.434  1.0
  O  O20  1  0.585  0.835  0.569  1.0
  O  O21  1  0.084  0.333  0.569  1.0
  O  O22  1  0.165  0.415  0.905  1.0
  O  O23  1  0.662  0.911  0.905  1.0
  O  O24  1  0.335  0.582  0.097  1.0
  O  O25  1  0.834  0.088  0.096  1.0
  O  O26  1  0.415  0.165  0.405  1.0
  O  O27  1  0.911  0.662  0.405  1.0
  O  O28  1  0.582  0.335  0.597  1.0
  O  O29  1  0.088  0.834  0.596  1.0
  O  O30  1  0.364  0.613  0.769  1.0
  O  O31  1  0.857  0.107  0.772  1.0
  O  O32  1  0.142  0.396  0.232  1.0
  O  O33  1  0.646  0.892  0.233  1.0
  O  O34  1  0.613  0.364  0.269  1.0
  O  O35  1  0.107  0.857  0.272  1.0
  O  O36  1  0.396  0.142  0.732  1.0
  O  O37  1  0.892  0.646  0.733  1.0
[/CIF]
.
The material described by Mn6HO12 crystallizes in the monoclinic Cc space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. H(1) is bonded in a single-bond geometry to one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(5), one Mn(6), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_Mn6HO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   5.396
_cell_length_c   13.647
_cell_angle_alpha   87.645
_cell_angle_beta   87.645
_cell_angle_gamma   64.625
_symmetry_Int_Tables_number   1
_cell_volume   358.540
_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  0.746  0.499  0.502  1.0
  Mn  Mn1  1  0.252  0.999  0.501  1.0
  Mn  Mn2  1  0.480  0.231  0.156  1.0
  Mn  Mn3  1  0.988  0.738  0.160  1.0
  Mn  Mn4  1  0.519  0.257  0.845  1.0
  Mn  Mn5  1  0.008  0.769  0.845  1.0
  Mn  Mn6  1  0.499  0.746  0.002  1.0
  Mn  Mn7  1  0.999  0.252  0.001  1.0
  Mn  Mn8  1  0.738  0.988  0.660  1.0
  Mn  Mn9  1  0.231  0.480  0.656  1.0
  Mn  Mn10  1  0.769  0.008  0.345  1.0
  Mn  Mn11  1  0.257  0.519  0.345  1.0
  H  H12  1  0.716  0.475  0.257  1.0
  H  H13  1  0.475  0.716  0.757  1.0
  O  O14  1  0.666  0.412  0.934  1.0
  O  O15  1  0.163  0.916  0.934  1.0
  O  O16  1  0.333  0.084  0.069  1.0
  O  O17  1  0.835  0.585  0.069  1.0
  O  O18  1  0.412  0.666  0.434  1.0
  O  O19  1  0.916  0.163  0.434  1.0
  O  O20  1  0.585  0.835  0.569  1.0
  O  O21  1  0.084  0.333  0.569  1.0
  O  O22  1  0.165  0.415  0.905  1.0
  O  O23  1  0.662  0.911  0.905  1.0
  O  O24  1  0.335  0.582  0.097  1.0
  O  O25  1  0.834  0.088  0.096  1.0
  O  O26  1  0.415  0.165  0.405  1.0
  O  O27  1  0.911  0.662  0.405  1.0
  O  O28  1  0.582  0.335  0.597  1.0
  O  O29  1  0.088  0.834  0.596  1.0
  O  O30  1  0.364  0.613  0.769  1.0
  O  O31  1  0.857  0.107  0.772  1.0
  O  O32  1  0.142  0.396  0.232  1.0
  O  O33  1  0.646  0.892  0.233  1.0
  O  O34  1  0.613  0.364  0.269  1.0
  O  O35  1  0.107  0.857  0.272  1.0
  O  O36  1  0.396  0.142  0.732  1.0
  O  O37  1  0.892  0.646  0.733  1.0
[/CIF]
.