The structure described by Cu2Zn3H14(SO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(8) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) 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  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and  a cornercorner with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Zn(2), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(2) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Zn(2), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Zn(2), and one H(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Zn(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom. is represented by the CIF file [CIF]
data_Zn3Cu2H14(SO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   6.331
_cell_length_c   10.433
_cell_angle_alpha   94.685
_cell_angle_beta   89.569
_cell_angle_gamma   90.360
_symmetry_Int_Tables_number   1
_cell_volume   353.147
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.490  0.750  0.505  1.0
  Zn  Zn2  1  0.510  0.250  0.495  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.784  0.352  0.068  1.0
  H  H6  1  0.216  0.648  0.932  1.0
  H  H7  1  0.649  0.272  0.935  1.0
  H  H8  1  0.351  0.728  0.065  1.0
  H  H9  1  0.814  0.668  0.860  1.0
  H  H10  1  0.186  0.332  0.140  1.0
  H  H11  1  0.581  0.803  0.911  1.0
  H  H12  1  0.419  0.197  0.089  1.0
  H  H13  1  0.893  0.215  0.318  1.0
  H  H14  1  0.107  0.785  0.682  1.0
  H  H15  1  0.304  0.994  0.317  1.0
  H  H16  1  0.696  0.006  0.683  1.0
  H  H17  1  0.323  0.502  0.320  1.0
  H  H18  1  0.677  0.498  0.680  1.0
  S  S19  1  0.230  0.301  0.780  1.0
  S  S20  1  0.770  0.699  0.220  1.0
  O  O21  1  0.210  0.277  0.638  1.0
  O  O22  1  0.790  0.723  0.362  1.0
  O  O23  1  0.491  0.352  0.815  1.0
  O  O24  1  0.509  0.648  0.185  1.0
  O  O25  1  0.067  0.476  0.832  1.0
  O  O26  1  0.933  0.524  0.168  1.0
  O  O27  1  0.150  0.099  0.829  1.0
  O  O28  1  0.850  0.901  0.171  1.0
  O  O29  1  0.320  0.997  0.409  1.0
  O  O30  1  0.680  0.003  0.591  1.0
  O  O31  1  0.318  0.486  0.411  1.0
  O  O32  1  0.682  0.514  0.589  1.0
  O  O33  1  0.863  0.234  0.410  1.0
  O  O34  1  0.137  0.766  0.590  1.0
  O  O35  1  0.285  0.774  0.983  1.0
  O  O36  1  0.715  0.226  0.017  1.0
  O  O37  1  0.754  0.812  0.879  1.0
  O  O38  1  0.246  0.188  0.121  1.0
[/CIF]
.
The structure described by Cu2Zn3H14(SO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(8) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) 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  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and  a cornercorner with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Zn(2), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(2) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Zn(2), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Zn(2), and one H(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Zn(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom. is represented by the CIF file [CIF]
data_Zn3Cu2H14(SO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   6.331
_cell_length_c   10.433
_cell_angle_alpha   94.685
_cell_angle_beta   89.569
_cell_angle_gamma   90.360
_symmetry_Int_Tables_number   1
_cell_volume   353.147
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.490  0.750  0.505  1.0
  Zn  Zn2  1  0.510  0.250  0.495  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.784  0.352  0.068  1.0
  H  H6  1  0.216  0.648  0.932  1.0
  H  H7  1  0.649  0.272  0.935  1.0
  H  H8  1  0.351  0.728  0.065  1.0
  H  H9  1  0.814  0.668  0.860  1.0
  H  H10  1  0.186  0.332  0.140  1.0
  H  H11  1  0.581  0.803  0.911  1.0
  H  H12  1  0.419  0.197  0.089  1.0
  H  H13  1  0.893  0.215  0.318  1.0
  H  H14  1  0.107  0.785  0.682  1.0
  H  H15  1  0.304  0.994  0.317  1.0
  H  H16  1  0.696  0.006  0.683  1.0
  H  H17  1  0.323  0.502  0.320  1.0
  H  H18  1  0.677  0.498  0.680  1.0
  S  S19  1  0.230  0.301  0.780  1.0
  S  S20  1  0.770  0.699  0.220  1.0
  O  O21  1  0.210  0.277  0.638  1.0
  O  O22  1  0.790  0.723  0.362  1.0
  O  O23  1  0.491  0.352  0.815  1.0
  O  O24  1  0.509  0.648  0.185  1.0
  O  O25  1  0.067  0.476  0.832  1.0
  O  O26  1  0.933  0.524  0.168  1.0
  O  O27  1  0.150  0.099  0.829  1.0
  O  O28  1  0.850  0.901  0.171  1.0
  O  O29  1  0.320  0.997  0.409  1.0
  O  O30  1  0.680  0.003  0.591  1.0
  O  O31  1  0.318  0.486  0.411  1.0
  O  O32  1  0.682  0.514  0.589  1.0
  O  O33  1  0.863  0.234  0.410  1.0
  O  O34  1  0.137  0.766  0.590  1.0
  O  O35  1  0.285  0.774  0.983  1.0
  O  O36  1  0.715  0.226  0.017  1.0
  O  O37  1  0.754  0.812  0.879  1.0
  O  O38  1  0.246  0.188  0.121  1.0
[/CIF]
.