The crystal structure described by (KFe6H12(SO7)4)2O2 crystallizes in the monoclinic P2/m space group. The structure consists of one water atom inside a KFe6H12(SO7)4 framework. In the KFe6H12(SO7)4 framework, K(1) is bonded to two equivalent O(1), two equivalent O(7), four equivalent O(10), and four equivalent O(4) atoms to form KO12 cuboctahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with four equivalent S(2)O4 tetrahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(9) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. In the third Fe site, Fe(3) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a faceface with one K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form SO4 tetrahedra that share  a cornercorner with one K(1)O12 cuboctahedra,  a cornercorner with one Fe(2)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second S site, S(2) is bonded to one O(2), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with two equivalent K(1)O12 cuboctahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Fe(2), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one S(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(3) and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Fe(3), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), two equivalent Fe(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Fe(3) and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one K(1), one Fe(2), one Fe(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KFe6H12S4O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.416
_cell_length_b   7.167
_cell_length_c   10.369
_cell_angle_alpha   87.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.664
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.252  0.749  0.253  1.0
  Fe  Fe4  1  0.748  0.251  0.747  1.0
  Fe  Fe5  1  0.748  0.749  0.253  1.0
  Fe  Fe6  1  0.252  0.251  0.747  1.0
  H  H7  1  0.000  0.022  0.699  1.0
  H  H8  1  0.500  0.518  0.204  1.0
  H  H9  1  0.781  0.810  0.492  1.0
  H  H10  1  0.290  0.312  0.988  1.0
  H  H11  1  0.219  0.810  0.492  1.0
  H  H12  1  0.710  0.312  0.988  1.0
  H  H13  1  0.000  0.978  0.301  1.0
  H  H14  1  0.500  0.482  0.796  1.0
  H  H15  1  0.219  0.190  0.508  1.0
  H  H16  1  0.710  0.688  0.012  1.0
  H  H17  1  0.781  0.190  0.508  1.0
  H  H18  1  0.290  0.688  0.012  1.0
  S  S19  1  0.000  0.614  0.694  1.0
  S  S20  1  0.500  0.116  0.192  1.0
  S  S21  1  0.000  0.386  0.306  1.0
  S  S22  1  0.500  0.884  0.808  1.0
  O  O23  1  0.000  0.668  0.832  1.0
  O  O24  1  0.500  0.171  0.328  1.0
  O  O25  1  0.836  0.501  0.668  1.0
  O  O26  1  0.335  0.000  0.166  1.0
  O  O27  1  0.164  0.501  0.668  1.0
  O  O28  1  0.665  0.000  0.166  1.0
  O  O29  1  0.000  0.332  0.168  1.0
  O  O30  1  0.500  0.829  0.672  1.0
  O  O31  1  0.164  0.499  0.332  1.0
  O  O32  1  0.665  1.000  0.834  1.0
  O  O33  1  0.836  0.499  0.332  1.0
  O  O34  1  0.335  1.000  0.834  1.0
  O  O35  1  0.000  0.784  0.609  1.0
  O  O36  1  0.500  0.283  0.105  1.0
  O  O37  1  0.000  0.216  0.391  1.0
  O  O38  1  0.500  0.717  0.895  1.0
  O  O39  1  0.000  0.145  0.737  1.0
  O  O40  1  0.500  0.646  0.235  1.0
  O  O41  1  0.687  0.841  0.428  1.0
  O  O42  1  0.189  0.334  0.927  1.0
  O  O43  1  0.313  0.841  0.428  1.0
  O  O44  1  0.811  0.334  0.927  1.0
  O  O45  1  0.000  0.855  0.263  1.0
  O  O46  1  0.500  0.354  0.765  1.0
  O  O47  1  0.313  0.159  0.572  1.0
  O  O48  1  0.811  0.666  0.073  1.0
  O  O49  1  0.687  0.159  0.572  1.0
  O  O50  1  0.189  0.666  0.073  1.0
  O  O51  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by (KFe6H12(SO7)4)2O2 crystallizes in the monoclinic P2/m space group. The structure consists of one water atom inside a KFe6H12(SO7)4 framework. In the KFe6H12(SO7)4 framework, K(1) is bonded to two equivalent O(1), two equivalent O(7), four equivalent O(10), and four equivalent O(4) atoms to form KO12 cuboctahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with four equivalent S(2)O4 tetrahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(9) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. In the third Fe site, Fe(3) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a faceface with one K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form SO4 tetrahedra that share  a cornercorner with one K(1)O12 cuboctahedra,  a cornercorner with one Fe(2)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second S site, S(2) is bonded to one O(2), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with two equivalent K(1)O12 cuboctahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Fe(2), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one S(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(3) and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Fe(3), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), two equivalent Fe(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Fe(3) and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one K(1), one Fe(2), one Fe(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KFe6H12S4O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.416
_cell_length_b   7.167
_cell_length_c   10.369
_cell_angle_alpha   87.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.664
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.252  0.749  0.253  1.0
  Fe  Fe4  1  0.748  0.251  0.747  1.0
  Fe  Fe5  1  0.748  0.749  0.253  1.0
  Fe  Fe6  1  0.252  0.251  0.747  1.0
  H  H7  1  0.000  0.022  0.699  1.0
  H  H8  1  0.500  0.518  0.204  1.0
  H  H9  1  0.781  0.810  0.492  1.0
  H  H10  1  0.290  0.312  0.988  1.0
  H  H11  1  0.219  0.810  0.492  1.0
  H  H12  1  0.710  0.312  0.988  1.0
  H  H13  1  0.000  0.978  0.301  1.0
  H  H14  1  0.500  0.482  0.796  1.0
  H  H15  1  0.219  0.190  0.508  1.0
  H  H16  1  0.710  0.688  0.012  1.0
  H  H17  1  0.781  0.190  0.508  1.0
  H  H18  1  0.290  0.688  0.012  1.0
  S  S19  1  0.000  0.614  0.694  1.0
  S  S20  1  0.500  0.116  0.192  1.0
  S  S21  1  0.000  0.386  0.306  1.0
  S  S22  1  0.500  0.884  0.808  1.0
  O  O23  1  0.000  0.668  0.832  1.0
  O  O24  1  0.500  0.171  0.328  1.0
  O  O25  1  0.836  0.501  0.668  1.0
  O  O26  1  0.335  0.000  0.166  1.0
  O  O27  1  0.164  0.501  0.668  1.0
  O  O28  1  0.665  0.000  0.166  1.0
  O  O29  1  0.000  0.332  0.168  1.0
  O  O30  1  0.500  0.829  0.672  1.0
  O  O31  1  0.164  0.499  0.332  1.0
  O  O32  1  0.665  1.000  0.834  1.0
  O  O33  1  0.836  0.499  0.332  1.0
  O  O34  1  0.335  1.000  0.834  1.0
  O  O35  1  0.000  0.784  0.609  1.0
  O  O36  1  0.500  0.283  0.105  1.0
  O  O37  1  0.000  0.216  0.391  1.0
  O  O38  1  0.500  0.717  0.895  1.0
  O  O39  1  0.000  0.145  0.737  1.0
  O  O40  1  0.500  0.646  0.235  1.0
  O  O41  1  0.687  0.841  0.428  1.0
  O  O42  1  0.189  0.334  0.927  1.0
  O  O43  1  0.313  0.841  0.428  1.0
  O  O44  1  0.811  0.334  0.927  1.0
  O  O45  1  0.000  0.855  0.263  1.0
  O  O46  1  0.500  0.354  0.765  1.0
  O  O47  1  0.313  0.159  0.572  1.0
  O  O48  1  0.811  0.666  0.073  1.0
  O  O49  1  0.687  0.159  0.572  1.0
  O  O50  1  0.189  0.666  0.073  1.0
  O  O51  1  0.500  0.500  0.500  1.0
[/CIF]
.