The crystal structure described by CuPb4H6(SO7)2 crystallizes in the triclinic P-1 space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and two equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to 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. S(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Pb(1), one Pb(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Pb(2), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Pb(2), two equivalent Pb(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH6Pb4(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   8.124
_cell_length_c   8.120
_cell_angle_alpha   112.598
_cell_angle_beta   97.052
_cell_angle_gamma   101.250
_symmetry_Int_Tables_number   1
_cell_volume   345.310
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.843  0.657  0.804  1.0
  H  H2  1  0.157  0.343  0.196  1.0
  H  H3  1  0.781  0.083  0.249  1.0
  H  H4  1  0.219  0.917  0.751  1.0
  H  H5  1  0.819  0.419  0.446  1.0
  H  H6  1  0.181  0.581  0.554  1.0
  Pb  Pb7  1  0.632  0.745  0.512  1.0
  Pb  Pb8  1  0.368  0.255  0.488  1.0
  Pb  Pb9  1  0.441  0.730  0.954  1.0
  Pb  Pb10  1  0.559  0.270  0.046  1.0
  S  S11  1  0.939  0.265  0.721  1.0
  S  S12  1  0.061  0.735  0.279  1.0
  O  O13  1  0.789  0.768  0.814  1.0
  O  O14  1  0.211  0.232  0.186  1.0
  O  O15  1  0.725  0.045  0.117  1.0
  O  O16  1  0.275  0.955  0.883  1.0
  O  O17  1  0.673  0.436  0.393  1.0
  O  O18  1  0.327  0.564  0.607  1.0
  O  O19  1  0.196  0.318  0.808  1.0
  O  O20  1  0.804  0.682  0.192  1.0
  O  O21  1  0.838  0.426  0.782  1.0
  O  O22  1  0.162  0.574  0.218  1.0
  O  O23  1  0.914  0.189  0.516  1.0
  O  O24  1  0.086  0.811  0.484  1.0
  O  O25  1  0.805  0.120  0.771  1.0
  O  O26  1  0.195  0.880  0.229  1.0
[/CIF]
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The crystal structure described by CuPb4H6(SO7)2 crystallizes in the triclinic P-1 space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and two equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to 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. S(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Pb(1), one Pb(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Pb(2), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Pb(2), two equivalent Pb(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH6Pb4(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   8.124
_cell_length_c   8.120
_cell_angle_alpha   112.598
_cell_angle_beta   97.052
_cell_angle_gamma   101.250
_symmetry_Int_Tables_number   1
_cell_volume   345.310
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.843  0.657  0.804  1.0
  H  H2  1  0.157  0.343  0.196  1.0
  H  H3  1  0.781  0.083  0.249  1.0
  H  H4  1  0.219  0.917  0.751  1.0
  H  H5  1  0.819  0.419  0.446  1.0
  H  H6  1  0.181  0.581  0.554  1.0
  Pb  Pb7  1  0.632  0.745  0.512  1.0
  Pb  Pb8  1  0.368  0.255  0.488  1.0
  Pb  Pb9  1  0.441  0.730  0.954  1.0
  Pb  Pb10  1  0.559  0.270  0.046  1.0
  S  S11  1  0.939  0.265  0.721  1.0
  S  S12  1  0.061  0.735  0.279  1.0
  O  O13  1  0.789  0.768  0.814  1.0
  O  O14  1  0.211  0.232  0.186  1.0
  O  O15  1  0.725  0.045  0.117  1.0
  O  O16  1  0.275  0.955  0.883  1.0
  O  O17  1  0.673  0.436  0.393  1.0
  O  O18  1  0.327  0.564  0.607  1.0
  O  O19  1  0.196  0.318  0.808  1.0
  O  O20  1  0.804  0.682  0.192  1.0
  O  O21  1  0.838  0.426  0.782  1.0
  O  O22  1  0.162  0.574  0.218  1.0
  O  O23  1  0.914  0.189  0.516  1.0
  O  O24  1  0.086  0.811  0.484  1.0
  O  O25  1  0.805  0.120  0.771  1.0
  O  O26  1  0.195  0.880  0.229  1.0
[/CIF]
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