The crystal structure described by KFe3(SO7)2(H2)3 crystallizes in the trigonal R-3m space group. The structure consists of nine 1333-74-0 molecules inside a KFe3(SO7)2 framework. In the KFe3(SO7)2 framework, K(1) is bonded in a distorted octahedral geometry to six equivalent O(3) atoms. Fe(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_KFe3H6(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.994
_cell_length_b   8.994
_cell_length_c   8.994
_cell_angle_alpha   59.705
_cell_angle_beta   59.705
_cell_angle_gamma   59.705
_symmetry_Int_Tables_number   1
_cell_volume   511.002
_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  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.051  0.485  0.485  1.0
  H  H5  1  0.949  0.515  0.515  1.0
  H  H6  1  0.485  0.485  0.051  1.0
  H  H7  1  0.485  0.051  0.485  1.0
  H  H8  1  0.515  0.949  0.515  1.0
  H  H9  1  0.515  0.515  0.949  1.0
  S  S10  1  0.263  0.263  0.263  1.0
  S  S11  1  0.737  0.737  0.737  1.0
  O  O12  1  0.852  0.852  0.578  1.0
  O  O13  1  0.148  0.422  0.148  1.0
  O  O14  1  0.852  0.578  0.852  1.0
  O  O15  1  0.672  0.672  0.672  1.0
  O  O16  1  0.264  0.036  0.036  1.0
  O  O17  1  0.964  0.736  0.964  1.0
  O  O18  1  0.736  0.964  0.964  1.0
  O  O19  1  0.578  0.852  0.852  1.0
  O  O20  1  0.328  0.328  0.328  1.0
  O  O21  1  0.422  0.148  0.148  1.0
  O  O22  1  0.148  0.148  0.422  1.0
  O  O23  1  0.036  0.036  0.264  1.0
  O  O24  1  0.964  0.964  0.736  1.0
  O  O25  1  0.036  0.264  0.036  1.0
[/CIF]
.
The crystal structure described by KFe3(SO7)2(H2)3 crystallizes in the trigonal R-3m space group. The structure consists of nine 1333-74-0 molecules inside a KFe3(SO7)2 framework. In the KFe3(SO7)2 framework, K(1) is bonded in a distorted octahedral geometry to six equivalent O(3) atoms. Fe(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_KFe3H6(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.994
_cell_length_b   8.994
_cell_length_c   8.994
_cell_angle_alpha   59.705
_cell_angle_beta   59.705
_cell_angle_gamma   59.705
_symmetry_Int_Tables_number   1
_cell_volume   511.002
_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  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.051  0.485  0.485  1.0
  H  H5  1  0.949  0.515  0.515  1.0
  H  H6  1  0.485  0.485  0.051  1.0
  H  H7  1  0.485  0.051  0.485  1.0
  H  H8  1  0.515  0.949  0.515  1.0
  H  H9  1  0.515  0.515  0.949  1.0
  S  S10  1  0.263  0.263  0.263  1.0
  S  S11  1  0.737  0.737  0.737  1.0
  O  O12  1  0.852  0.852  0.578  1.0
  O  O13  1  0.148  0.422  0.148  1.0
  O  O14  1  0.852  0.578  0.852  1.0
  O  O15  1  0.672  0.672  0.672  1.0
  O  O16  1  0.264  0.036  0.036  1.0
  O  O17  1  0.964  0.736  0.964  1.0
  O  O18  1  0.736  0.964  0.964  1.0
  O  O19  1  0.578  0.852  0.852  1.0
  O  O20  1  0.328  0.328  0.328  1.0
  O  O21  1  0.422  0.148  0.148  1.0
  O  O22  1  0.148  0.148  0.422  1.0
  O  O23  1  0.036  0.036  0.264  1.0
  O  O24  1  0.964  0.964  0.736  1.0
  O  O25  1  0.036  0.264  0.036  1.0
[/CIF]
.