The material described by NaZn3H3S2O9 crystallizes in the trigonal P3c1 space group. Na(1) is bonded in a 7-coordinate geometry to one H(1), three equivalent O(4), and three equivalent O(5) atoms. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing ZnO5 trigonal bipyramids. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Na(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(4) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Zn(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Zn(1) and one H(2) atom to form distorted corner-sharing OZn3H tetrahedra. In the third O site, O(3) is bonded to three equivalent Zn(1) and one H(3) atom to form distorted corner-sharing OZn3H tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one Zn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(1), and one S(2) atom. is represented by the CIF card [CIF]
data_NaZn3H3S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.943
_cell_length_c   13.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   422.187
_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
  Na  Na0  1  0.333  0.667  0.990  1.0
  Na  Na1  1  0.333  0.667  0.490  1.0
  Zn  Zn2  1  0.332  0.010  0.254  1.0
  Zn  Zn3  1  0.990  0.322  0.254  1.0
  Zn  Zn4  1  0.678  0.668  0.254  1.0
  Zn  Zn5  1  0.990  0.668  0.754  1.0
  Zn  Zn6  1  0.332  0.322  0.754  1.0
  Zn  Zn7  1  0.678  0.010  0.754  1.0
  H  H8  1  0.333  0.667  0.171  1.0
  H  H9  1  0.333  0.667  0.671  1.0
  H  H10  1  0.000  0.000  0.133  1.0
  H  H11  1  0.000  0.000  0.633  1.0
  H  H12  1  0.667  0.333  0.870  1.0
  H  H13  1  0.667  0.333  0.370  1.0
  S  S14  1  0.000  0.000  0.440  1.0
  S  S15  1  0.000  0.000  0.940  1.0
  S  S16  1  0.667  0.333  0.564  1.0
  S  S17  1  0.667  0.333  0.064  1.0
  O  O18  1  0.333  0.667  0.242  1.0
  O  O19  1  0.333  0.667  0.742  1.0
  O  O20  1  0.000  0.000  0.204  1.0
  O  O21  1  0.000  0.000  0.704  1.0
  O  O22  1  0.667  0.333  0.799  1.0
  O  O23  1  0.667  0.333  0.299  1.0
  O  O24  1  0.183  0.912  0.395  1.0
  O  O25  1  0.088  0.271  0.395  1.0
  O  O26  1  0.729  0.817  0.395  1.0
  O  O27  1  0.088  0.817  0.895  1.0
  O  O28  1  0.183  0.271  0.895  1.0
  O  O29  1  0.729  0.912  0.895  1.0
  O  O30  1  0.482  0.420  0.608  1.0
  O  O31  1  0.580  0.062  0.608  1.0
  O  O32  1  0.938  0.518  0.608  1.0
  O  O33  1  0.580  0.518  0.108  1.0
  O  O34  1  0.482  0.062  0.108  1.0
  O  O35  1  0.938  0.420  0.108  1.0
[/CIF]
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The material described by NaZn3H3S2O9 crystallizes in the trigonal P3c1 space group. Na(1) is bonded in a 7-coordinate geometry to one H(1), three equivalent O(4), and three equivalent O(5) atoms. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing ZnO5 trigonal bipyramids. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Na(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(4) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Zn(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Zn(1) and one H(2) atom to form distorted corner-sharing OZn3H tetrahedra. In the third O site, O(3) is bonded to three equivalent Zn(1) and one H(3) atom to form distorted corner-sharing OZn3H tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one Zn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(1), and one S(2) atom. is represented by the CIF card [CIF]
data_NaZn3H3S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.943
_cell_length_c   13.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   422.187
_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
  Na  Na0  1  0.333  0.667  0.990  1.0
  Na  Na1  1  0.333  0.667  0.490  1.0
  Zn  Zn2  1  0.332  0.010  0.254  1.0
  Zn  Zn3  1  0.990  0.322  0.254  1.0
  Zn  Zn4  1  0.678  0.668  0.254  1.0
  Zn  Zn5  1  0.990  0.668  0.754  1.0
  Zn  Zn6  1  0.332  0.322  0.754  1.0
  Zn  Zn7  1  0.678  0.010  0.754  1.0
  H  H8  1  0.333  0.667  0.171  1.0
  H  H9  1  0.333  0.667  0.671  1.0
  H  H10  1  0.000  0.000  0.133  1.0
  H  H11  1  0.000  0.000  0.633  1.0
  H  H12  1  0.667  0.333  0.870  1.0
  H  H13  1  0.667  0.333  0.370  1.0
  S  S14  1  0.000  0.000  0.440  1.0
  S  S15  1  0.000  0.000  0.940  1.0
  S  S16  1  0.667  0.333  0.564  1.0
  S  S17  1  0.667  0.333  0.064  1.0
  O  O18  1  0.333  0.667  0.242  1.0
  O  O19  1  0.333  0.667  0.742  1.0
  O  O20  1  0.000  0.000  0.204  1.0
  O  O21  1  0.000  0.000  0.704  1.0
  O  O22  1  0.667  0.333  0.799  1.0
  O  O23  1  0.667  0.333  0.299  1.0
  O  O24  1  0.183  0.912  0.395  1.0
  O  O25  1  0.088  0.271  0.395  1.0
  O  O26  1  0.729  0.817  0.395  1.0
  O  O27  1  0.088  0.817  0.895  1.0
  O  O28  1  0.183  0.271  0.895  1.0
  O  O29  1  0.729  0.912  0.895  1.0
  O  O30  1  0.482  0.420  0.608  1.0
  O  O31  1  0.580  0.062  0.608  1.0
  O  O32  1  0.938  0.518  0.608  1.0
  O  O33  1  0.580  0.518  0.108  1.0
  O  O34  1  0.482  0.062  0.108  1.0
  O  O35  1  0.938  0.420  0.108  1.0
[/CIF]
.