The material described by Cu2Pb7Si2(S2O13)2 crystallizes in the monoclinic C2/m space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted CuO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted pentagonal planar geometry to one O(10), two equivalent O(3), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one O(6) and two equivalent O(3) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to two equivalent O(9) and four equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(6), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(9), and two equivalent O(8) atoms. There are ten inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Pb(3) and one S(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), one Pb(4), and one Si(1) atom. In the third O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(5) is bonded in a single-bond geometry to one S(2) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(3), and one Si(1) atom. In the sixth O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1), one Pb(1), one Pb(3), and one S(1) atom. In the seventh O site, O(8) is bonded in a distorted single-bond geometry to one Pb(3) and one S(2) atom. In the eighth O site, O(9) is bonded in a single-bond geometry to one Pb(4) and one S(2) atom. In the ninth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Pb(1) atom. In the tenth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Si2Pb7(S2O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.820
_cell_length_b   10.820
_cell_length_c   9.614
_cell_angle_alpha   89.391
_cell_angle_beta   89.391
_cell_angle_gamma   30.782
_symmetry_Int_Tables_number   1
_cell_volume   576.006
_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  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Si  Si2  1  0.395  0.395  0.008  1.0
  Si  Si3  1  0.605  0.605  0.992  1.0
  Pb  Pb4  1  0.147  0.147  0.745  1.0
  Pb  Pb5  1  0.853  0.853  0.255  1.0
  Pb  Pb6  1  0.475  0.475  0.288  1.0
  Pb  Pb7  1  0.525  0.525  0.712  1.0
  Pb  Pb8  1  0.343  0.343  0.670  1.0
  Pb  Pb9  1  0.657  0.657  0.330  1.0
  Pb  Pb10  1  0.000  0.000  0.000  1.0
  S  S11  1  0.268  0.268  0.345  1.0
  S  S12  1  0.732  0.732  0.655  1.0
  S  S13  1  0.932  0.932  0.655  1.0
  S  S14  1  0.068  0.068  0.345  1.0
  O  O15  1  0.314  0.314  0.975  1.0
  O  O16  1  0.686  0.686  0.025  1.0
  O  O17  1  0.337  0.337  0.387  1.0
  O  O18  1  0.663  0.663  0.613  1.0
  O  O19  1  0.191  0.639  0.106  1.0
  O  O20  1  0.639  0.191  0.106  1.0
  O  O21  1  0.809  0.361  0.894  1.0
  O  O22  1  0.361  0.809  0.894  1.0
  O  O23  1  0.224  0.224  0.465  1.0
  O  O24  1  0.776  0.776  0.535  1.0
  O  O25  1  0.884  0.884  0.766  1.0
  O  O26  1  0.116  0.116  0.234  1.0
  O  O27  1  0.431  0.431  0.856  1.0
  O  O28  1  0.569  0.569  0.144  1.0
  O  O29  1  0.044  0.469  0.255  1.0
  O  O30  1  0.469  0.044  0.255  1.0
  O  O31  1  0.956  0.531  0.745  1.0
  O  O32  1  0.531  0.956  0.745  1.0
  O  O33  1  0.141  0.712  0.566  1.0
  O  O34  1  0.712  0.141  0.566  1.0
  O  O35  1  0.859  0.288  0.434  1.0
  O  O36  1  0.288  0.859  0.434  1.0
  O  O37  1  0.001  0.001  0.283  1.0
  O  O38  1  0.999  0.999  0.717  1.0
  O  O39  1  0.803  0.803  0.028  1.0
  O  O40  1  0.197  0.197  0.972  1.0
[/CIF]
.
The material described by Cu2Pb7Si2(S2O13)2 crystallizes in the monoclinic C2/m space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted CuO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted pentagonal planar geometry to one O(10), two equivalent O(3), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one O(6) and two equivalent O(3) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to two equivalent O(9) and four equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(6), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(9), and two equivalent O(8) atoms. There are ten inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Pb(3) and one S(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), one Pb(4), and one Si(1) atom. In the third O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(5) is bonded in a single-bond geometry to one S(2) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(3), and one Si(1) atom. In the sixth O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1), one Pb(1), one Pb(3), and one S(1) atom. In the seventh O site, O(8) is bonded in a distorted single-bond geometry to one Pb(3) and one S(2) atom. In the eighth O site, O(9) is bonded in a single-bond geometry to one Pb(4) and one S(2) atom. In the ninth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Pb(1) atom. In the tenth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Si2Pb7(S2O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.820
_cell_length_b   10.820
_cell_length_c   9.614
_cell_angle_alpha   89.391
_cell_angle_beta   89.391
_cell_angle_gamma   30.782
_symmetry_Int_Tables_number   1
_cell_volume   576.006
_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  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Si  Si2  1  0.395  0.395  0.008  1.0
  Si  Si3  1  0.605  0.605  0.992  1.0
  Pb  Pb4  1  0.147  0.147  0.745  1.0
  Pb  Pb5  1  0.853  0.853  0.255  1.0
  Pb  Pb6  1  0.475  0.475  0.288  1.0
  Pb  Pb7  1  0.525  0.525  0.712  1.0
  Pb  Pb8  1  0.343  0.343  0.670  1.0
  Pb  Pb9  1  0.657  0.657  0.330  1.0
  Pb  Pb10  1  0.000  0.000  0.000  1.0
  S  S11  1  0.268  0.268  0.345  1.0
  S  S12  1  0.732  0.732  0.655  1.0
  S  S13  1  0.932  0.932  0.655  1.0
  S  S14  1  0.068  0.068  0.345  1.0
  O  O15  1  0.314  0.314  0.975  1.0
  O  O16  1  0.686  0.686  0.025  1.0
  O  O17  1  0.337  0.337  0.387  1.0
  O  O18  1  0.663  0.663  0.613  1.0
  O  O19  1  0.191  0.639  0.106  1.0
  O  O20  1  0.639  0.191  0.106  1.0
  O  O21  1  0.809  0.361  0.894  1.0
  O  O22  1  0.361  0.809  0.894  1.0
  O  O23  1  0.224  0.224  0.465  1.0
  O  O24  1  0.776  0.776  0.535  1.0
  O  O25  1  0.884  0.884  0.766  1.0
  O  O26  1  0.116  0.116  0.234  1.0
  O  O27  1  0.431  0.431  0.856  1.0
  O  O28  1  0.569  0.569  0.144  1.0
  O  O29  1  0.044  0.469  0.255  1.0
  O  O30  1  0.469  0.044  0.255  1.0
  O  O31  1  0.956  0.531  0.745  1.0
  O  O32  1  0.531  0.956  0.745  1.0
  O  O33  1  0.141  0.712  0.566  1.0
  O  O34  1  0.712  0.141  0.566  1.0
  O  O35  1  0.859  0.288  0.434  1.0
  O  O36  1  0.288  0.859  0.434  1.0
  O  O37  1  0.001  0.001  0.283  1.0
  O  O38  1  0.999  0.999  0.717  1.0
  O  O39  1  0.803  0.803  0.028  1.0
  O  O40  1  0.197  0.197  0.972  1.0
[/CIF]
.