The compound described by KZnH5(SO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms. Zn(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form ZnO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second S site, S(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one H(5), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent K(1), one H(5), and one S(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Zn(1), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one S(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one S(2) atom. is represented by the CIF file [CIF]
data_KZnH5(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.641
_cell_length_b   5.867
_cell_length_c   8.305
_cell_angle_alpha   103.345
_cell_angle_beta   99.536
_cell_angle_gamma   95.487
_symmetry_Int_Tables_number   1
_cell_volume   214.869
_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  0.999  0.002  0.497  1.0
  Zn  Zn1  1  0.003  0.010  0.009  1.0
  H  H2  1  0.933  0.339  0.837  1.0
  H  H3  1  0.065  0.659  0.164  1.0
  H  H4  1  0.617  0.267  0.874  1.0
  H  H5  1  0.385  0.733  0.130  1.0
  H  H6  1  0.498  0.533  0.515  1.0
  S  S7  1  0.388  0.683  0.763  1.0
  S  S8  1  0.608  0.320  0.244  1.0
  O  O9  1  0.489  0.702  0.595  1.0
  O  O10  1  0.508  0.308  0.405  1.0
  O  O11  1  0.214  0.880  0.797  1.0
  O  O12  1  0.785  0.121  0.206  1.0
  O  O13  1  0.797  0.205  0.848  1.0
  O  O14  1  0.200  0.791  0.150  1.0
  O  O15  1  0.218  0.447  0.732  1.0
  O  O16  1  0.781  0.553  0.266  1.0
  O  O17  1  0.651  0.715  0.898  1.0
  O  O18  1  0.350  0.288  0.102  1.0
[/CIF]
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The compound described by KZnH5(SO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms. Zn(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form ZnO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second S site, S(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one H(5), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent K(1), one H(5), and one S(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Zn(1), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one S(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one S(2) atom. is represented by the CIF file [CIF]
data_KZnH5(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.641
_cell_length_b   5.867
_cell_length_c   8.305
_cell_angle_alpha   103.345
_cell_angle_beta   99.536
_cell_angle_gamma   95.487
_symmetry_Int_Tables_number   1
_cell_volume   214.869
_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  0.999  0.002  0.497  1.0
  Zn  Zn1  1  0.003  0.010  0.009  1.0
  H  H2  1  0.933  0.339  0.837  1.0
  H  H3  1  0.065  0.659  0.164  1.0
  H  H4  1  0.617  0.267  0.874  1.0
  H  H5  1  0.385  0.733  0.130  1.0
  H  H6  1  0.498  0.533  0.515  1.0
  S  S7  1  0.388  0.683  0.763  1.0
  S  S8  1  0.608  0.320  0.244  1.0
  O  O9  1  0.489  0.702  0.595  1.0
  O  O10  1  0.508  0.308  0.405  1.0
  O  O11  1  0.214  0.880  0.797  1.0
  O  O12  1  0.785  0.121  0.206  1.0
  O  O13  1  0.797  0.205  0.848  1.0
  O  O14  1  0.200  0.791  0.150  1.0
  O  O15  1  0.218  0.447  0.732  1.0
  O  O16  1  0.781  0.553  0.266  1.0
  O  O17  1  0.651  0.715  0.898  1.0
  O  O18  1  0.350  0.288  0.102  1.0
[/CIF]
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