The material structure described by ZnH2(SO4)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnH2(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.377
_cell_length_b   4.976
_cell_length_c   8.315
_cell_angle_alpha   62.869
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.461
_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
  Zn  Zn0  1  0.500  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.979  0.443  0.343  1.0
  H  H3  1  0.479  0.557  0.157  1.0
  H  H4  1  0.021  0.557  0.657  1.0
  H  H5  1  0.521  0.443  0.843  1.0
  S  S6  1  0.676  0.661  0.280  1.0
  S  S7  1  0.176  0.339  0.220  1.0
  S  S8  1  0.324  0.339  0.720  1.0
  S  S9  1  0.824  0.661  0.780  1.0
  O  O10  1  0.623  0.916  0.308  1.0
  O  O11  1  0.123  0.084  0.192  1.0
  O  O12  1  0.155  0.303  0.779  1.0
  O  O13  1  0.655  0.697  0.721  1.0
  O  O14  1  0.845  0.697  0.221  1.0
  O  O15  1  0.345  0.303  0.279  1.0
  O  O16  1  0.850  0.367  0.937  1.0
  O  O17  1  0.350  0.633  0.563  1.0
  O  O18  1  0.150  0.633  0.063  1.0
  O  O19  1  0.650  0.367  0.437  1.0
  O  O20  1  0.416  0.330  0.886  1.0
  O  O21  1  0.916  0.670  0.614  1.0
  O  O22  1  0.584  0.670  0.114  1.0
  O  O23  1  0.084  0.330  0.386  1.0
  O  O24  1  0.877  0.916  0.808  1.0
  O  O25  1  0.377  0.084  0.692  1.0
[/CIF]
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The material structure described by ZnH2(SO4)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnH2(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.377
_cell_length_b   4.976
_cell_length_c   8.315
_cell_angle_alpha   62.869
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.461
_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
  Zn  Zn0  1  0.500  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.979  0.443  0.343  1.0
  H  H3  1  0.479  0.557  0.157  1.0
  H  H4  1  0.021  0.557  0.657  1.0
  H  H5  1  0.521  0.443  0.843  1.0
  S  S6  1  0.676  0.661  0.280  1.0
  S  S7  1  0.176  0.339  0.220  1.0
  S  S8  1  0.324  0.339  0.720  1.0
  S  S9  1  0.824  0.661  0.780  1.0
  O  O10  1  0.623  0.916  0.308  1.0
  O  O11  1  0.123  0.084  0.192  1.0
  O  O12  1  0.155  0.303  0.779  1.0
  O  O13  1  0.655  0.697  0.721  1.0
  O  O14  1  0.845  0.697  0.221  1.0
  O  O15  1  0.345  0.303  0.279  1.0
  O  O16  1  0.850  0.367  0.937  1.0
  O  O17  1  0.350  0.633  0.563  1.0
  O  O18  1  0.150  0.633  0.063  1.0
  O  O19  1  0.650  0.367  0.437  1.0
  O  O20  1  0.416  0.330  0.886  1.0
  O  O21  1  0.916  0.670  0.614  1.0
  O  O22  1  0.584  0.670  0.114  1.0
  O  O23  1  0.084  0.330  0.386  1.0
  O  O24  1  0.877  0.916  0.808  1.0
  O  O25  1  0.377  0.084  0.692  1.0
[/CIF]
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