The compound described by KFeH5(SO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(9) atom. Fe(1) is bonded in a distorted square pyramidal geometry to one O(1), one O(10), one O(4), one O(5), and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(10) and one O(2) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(1) and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(8) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one H(3), and one H(5) atom. In the second O site, O(2) is bonded in a water-like geometry to one H(4) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Fe(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one K(1), one H(5), and one O(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one S(2), and one O(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one K(1), one H(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Fe(1), one H(1), and one H(4) atom. is represented by the CIF card [CIF]
data_KFeH5(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   6.401
_cell_length_c   7.740
_cell_angle_alpha   99.688
_cell_angle_beta   102.255
_cell_angle_gamma   94.201
_symmetry_Int_Tables_number   1
_cell_volume   245.504
_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  0.004  0.110  0.574  1.0
  Fe  Fe1  1  0.008  0.027  0.074  1.0
  H  H2  1  0.637  0.168  0.824  1.0
  H  H3  1  0.241  0.594  0.847  1.0
  H  H4  1  0.902  0.708  0.222  1.0
  H  H5  1  0.732  0.355  0.988  1.0
  H  H6  1  0.307  0.815  0.361  1.0
  S  S7  1  0.563  0.314  0.264  1.0
  S  S8  1  0.582  0.706  0.760  1.0
  O  O9  1  0.051  0.815  0.229  1.0
  O  O10  1  0.600  0.476  0.150  1.0
  O  O11  1  0.742  0.589  0.654  1.0
  O  O12  1  0.690  0.115  0.207  1.0
  O  O13  1  0.161  0.945  0.898  1.0
  O  O14  1  0.499  0.848  0.449  1.0
  O  O15  1  0.440  0.884  0.628  1.0
  O  O16  1  0.267  0.250  0.249  1.0
  O  O17  1  0.335  0.528  0.756  1.0
  O  O18  1  0.800  0.247  0.904  1.0
[/CIF]
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The compound described by KFeH5(SO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(9) atom. Fe(1) is bonded in a distorted square pyramidal geometry to one O(1), one O(10), one O(4), one O(5), and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(10) and one O(2) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(1) and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(8) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one H(3), and one H(5) atom. In the second O site, O(2) is bonded in a water-like geometry to one H(4) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Fe(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one K(1), one H(5), and one O(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one S(2), and one O(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one K(1), one H(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Fe(1), one H(1), and one H(4) atom. is represented by the CIF card [CIF]
data_KFeH5(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   6.401
_cell_length_c   7.740
_cell_angle_alpha   99.688
_cell_angle_beta   102.255
_cell_angle_gamma   94.201
_symmetry_Int_Tables_number   1
_cell_volume   245.504
_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  0.004  0.110  0.574  1.0
  Fe  Fe1  1  0.008  0.027  0.074  1.0
  H  H2  1  0.637  0.168  0.824  1.0
  H  H3  1  0.241  0.594  0.847  1.0
  H  H4  1  0.902  0.708  0.222  1.0
  H  H5  1  0.732  0.355  0.988  1.0
  H  H6  1  0.307  0.815  0.361  1.0
  S  S7  1  0.563  0.314  0.264  1.0
  S  S8  1  0.582  0.706  0.760  1.0
  O  O9  1  0.051  0.815  0.229  1.0
  O  O10  1  0.600  0.476  0.150  1.0
  O  O11  1  0.742  0.589  0.654  1.0
  O  O12  1  0.690  0.115  0.207  1.0
  O  O13  1  0.161  0.945  0.898  1.0
  O  O14  1  0.499  0.848  0.449  1.0
  O  O15  1  0.440  0.884  0.628  1.0
  O  O16  1  0.267  0.250  0.249  1.0
  O  O17  1  0.335  0.528  0.756  1.0
  O  O18  1  0.800  0.247  0.904  1.0
[/CIF]
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