The crystal structure described by Cu2ZnH4(SO4)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one S(1), one O(1), one O(2), and one O(3) atom to form distorted CuSO3 trigonal pyramids that share corners with three equivalent S(1)CuO3 tetrahedra and  an edgeedge with one Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with four equivalent S(1)CuO3 tetrahedra and edges with two equivalent Cu(1)SO3 trigonal pyramids. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. S(1) is bonded to one Cu(1), one O(1), one O(2), and one O(3) atom to form SCuO3 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Cu(1)SO3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), 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 Cu(1), one Zn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_ZnCu2H4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.915
_cell_length_b   5.913
_cell_length_c   9.766
_cell_angle_alpha   55.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.062
_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
  Cu  Cu2  1  0.631  0.807  0.950  1.0
  Cu  Cu3  1  0.869  0.807  0.450  1.0
  Cu  Cu4  1  0.369  0.193  0.050  1.0
  Cu  Cu5  1  0.131  0.193  0.550  1.0
  H  H6  1  0.514  0.523  0.238  1.0
  H  H7  1  0.986  0.523  0.738  1.0
  H  H8  1  0.486  0.477  0.762  1.0
  H  H9  1  0.014  0.477  0.262  1.0
  H  H10  1  0.615  0.477  0.396  1.0
  H  H11  1  0.885  0.477  0.896  1.0
  H  H12  1  0.385  0.523  0.604  1.0
  H  H13  1  0.115  0.523  0.104  1.0
  S  S14  1  0.873  0.129  0.629  1.0
  S  S15  1  0.627  0.129  0.129  1.0
  S  S16  1  0.127  0.871  0.371  1.0
  S  S17  1  0.373  0.871  0.871  1.0
  O  O18  1  0.861  0.962  0.821  1.0
  O  O19  1  0.639  0.962  0.321  1.0
  O  O20  1  0.139  0.038  0.179  1.0
  O  O21  1  0.361  0.038  0.679  1.0
  O  O22  1  0.765  0.960  0.585  1.0
  O  O23  1  0.735  0.960  0.085  1.0
  O  O24  1  0.235  0.040  0.415  1.0
  O  O25  1  0.265  0.040  0.915  1.0
  O  O26  1  0.779  0.395  0.559  1.0
  O  O27  1  0.721  0.395  0.059  1.0
  O  O28  1  0.221  0.605  0.441  1.0
  O  O29  1  0.279  0.605  0.941  1.0
  O  O30  1  0.519  0.416  0.359  1.0
  O  O31  1  0.981  0.416  0.859  1.0
  O  O32  1  0.481  0.584  0.641  1.0
  O  O33  1  0.019  0.584  0.141  1.0
[/CIF]
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The crystal structure described by Cu2ZnH4(SO4)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one S(1), one O(1), one O(2), and one O(3) atom to form distorted CuSO3 trigonal pyramids that share corners with three equivalent S(1)CuO3 tetrahedra and  an edgeedge with one Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with four equivalent S(1)CuO3 tetrahedra and edges with two equivalent Cu(1)SO3 trigonal pyramids. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. S(1) is bonded to one Cu(1), one O(1), one O(2), and one O(3) atom to form SCuO3 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Cu(1)SO3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), 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 Cu(1), one Zn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_ZnCu2H4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.915
_cell_length_b   5.913
_cell_length_c   9.766
_cell_angle_alpha   55.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.062
_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
  Cu  Cu2  1  0.631  0.807  0.950  1.0
  Cu  Cu3  1  0.869  0.807  0.450  1.0
  Cu  Cu4  1  0.369  0.193  0.050  1.0
  Cu  Cu5  1  0.131  0.193  0.550  1.0
  H  H6  1  0.514  0.523  0.238  1.0
  H  H7  1  0.986  0.523  0.738  1.0
  H  H8  1  0.486  0.477  0.762  1.0
  H  H9  1  0.014  0.477  0.262  1.0
  H  H10  1  0.615  0.477  0.396  1.0
  H  H11  1  0.885  0.477  0.896  1.0
  H  H12  1  0.385  0.523  0.604  1.0
  H  H13  1  0.115  0.523  0.104  1.0
  S  S14  1  0.873  0.129  0.629  1.0
  S  S15  1  0.627  0.129  0.129  1.0
  S  S16  1  0.127  0.871  0.371  1.0
  S  S17  1  0.373  0.871  0.871  1.0
  O  O18  1  0.861  0.962  0.821  1.0
  O  O19  1  0.639  0.962  0.321  1.0
  O  O20  1  0.139  0.038  0.179  1.0
  O  O21  1  0.361  0.038  0.679  1.0
  O  O22  1  0.765  0.960  0.585  1.0
  O  O23  1  0.735  0.960  0.085  1.0
  O  O24  1  0.235  0.040  0.415  1.0
  O  O25  1  0.265  0.040  0.915  1.0
  O  O26  1  0.779  0.395  0.559  1.0
  O  O27  1  0.721  0.395  0.059  1.0
  O  O28  1  0.221  0.605  0.441  1.0
  O  O29  1  0.279  0.605  0.941  1.0
  O  O30  1  0.519  0.416  0.359  1.0
  O  O31  1  0.981  0.416  0.859  1.0
  O  O32  1  0.481  0.584  0.641  1.0
  O  O33  1  0.019  0.584  0.141  1.0
[/CIF]
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