The material described by CuCl2Cu5PbSe2O8Cl3 crystallizes in the monoclinic C2/m space group. The structure consists of four cupric chloride molecules inside a Cu5PbSe2O8Cl3 framework. In the Cu5PbSe2O8Cl3 framework, there are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal bipyramidal geometry to one O(6), two equivalent O(2), one Cl(1), and one Cl(5) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), two equivalent O(3), and one Cl(4) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(6), two equivalent O(4), and one Cl(1) atom. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. Pb(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), one Cl(4), and one Cl(5) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(2) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(3) and one Se(2) atom. In the second O site, O(3) is bonded in a trigonal planar geometry to two equivalent Cu(2) and one Se(1) atom. In the third O site, O(5) is bonded to one Cu(2), two equivalent Cu(4), and one Pb(1) atom to form distorted corner-sharing OCu3Pb tetrahedra. In the fourth O site, O(6) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(4) atoms to form corner-sharing OCu4 tetrahedra. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one Se(1) atom. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(4), one Pb(1), and one Se(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Cu(1) and one Cu(3) atom. In the second Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cu(2) and one Pb(1) atom. In the third Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cu(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Cu6PbSe2Cl5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.861
_cell_length_b   9.861
_cell_length_c   15.491
_cell_angle_alpha   62.897
_cell_angle_beta   62.897
_cell_angle_gamma   37.070
_symmetry_Int_Tables_number   1
_cell_volume   796.282
_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
  Cu  Cu0  1  0.348  0.348  0.834  1.0
  Cu  Cu1  1  0.931  0.931  0.465  1.0
  Cu  Cu2  1  0.069  0.069  0.535  1.0
  Cu  Cu3  1  0.560  0.560  0.047  1.0
  Cu  Cu4  1  0.768  0.261  0.743  1.0
  Cu  Cu5  1  0.440  0.440  0.953  1.0
  Cu  Cu6  1  0.232  0.739  0.257  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Cu  Cu8  1  0.652  0.652  0.166  1.0
  Cu  Cu9  1  0.261  0.768  0.743  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.739  0.232  0.257  1.0
  Pb  Pb12  1  0.794  0.794  0.361  1.0
  Pb  Pb13  1  0.206  0.206  0.639  1.0
  Se  Se14  1  0.127  0.127  0.291  1.0
  Se  Se15  1  0.873  0.873  0.709  1.0
  Se  Se16  1  0.642  0.642  0.800  1.0
  Se  Se17  1  0.358  0.358  0.200  1.0
  Cl  Cl18  1  0.305  0.305  0.005  1.0
  Cl  Cl19  1  0.586  0.586  0.551  1.0
  Cl  Cl20  1  0.937  0.937  0.920  1.0
  Cl  Cl21  1  0.063  0.063  0.080  1.0
  Cl  Cl22  1  0.790  0.790  0.559  1.0
  Cl  Cl23  1  0.210  0.210  0.441  1.0
  Cl  Cl24  1  0.238  0.238  0.812  1.0
  Cl  Cl25  1  0.762  0.762  0.188  1.0
  Cl  Cl26  1  0.695  0.695  0.995  1.0
  Cl  Cl27  1  0.414  0.414  0.449  1.0
  O  O28  1  0.403  0.832  0.750  1.0
  O  O29  1  0.689  0.125  0.748  1.0
  O  O30  1  0.948  0.948  0.583  1.0
  O  O31  1  0.125  0.689  0.748  1.0
  O  O32  1  0.311  0.875  0.252  1.0
  O  O33  1  0.832  0.403  0.750  1.0
  O  O34  1  0.875  0.311  0.252  1.0
  O  O35  1  0.597  0.168  0.250  1.0
  O  O36  1  0.168  0.597  0.250  1.0
  O  O37  1  0.558  0.558  0.920  1.0
  O  O38  1  0.933  0.933  0.340  1.0
  O  O39  1  0.052  0.052  0.417  1.0
  O  O40  1  0.442  0.442  0.080  1.0
  O  O41  1  0.540  0.540  0.181  1.0
  O  O42  1  0.460  0.460  0.819  1.0
  O  O43  1  0.067  0.067  0.660  1.0
[/CIF]
.
The material described by CuCl2Cu5PbSe2O8Cl3 crystallizes in the monoclinic C2/m space group. The structure consists of four cupric chloride molecules inside a Cu5PbSe2O8Cl3 framework. In the Cu5PbSe2O8Cl3 framework, there are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal bipyramidal geometry to one O(6), two equivalent O(2), one Cl(1), and one Cl(5) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), two equivalent O(3), and one Cl(4) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(6), two equivalent O(4), and one Cl(1) atom. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. Pb(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), one Cl(4), and one Cl(5) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(2) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(3) and one Se(2) atom. In the second O site, O(3) is bonded in a trigonal planar geometry to two equivalent Cu(2) and one Se(1) atom. In the third O site, O(5) is bonded to one Cu(2), two equivalent Cu(4), and one Pb(1) atom to form distorted corner-sharing OCu3Pb tetrahedra. In the fourth O site, O(6) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(4) atoms to form corner-sharing OCu4 tetrahedra. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one Se(1) atom. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(4), one Pb(1), and one Se(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Cu(1) and one Cu(3) atom. In the second Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cu(2) and one Pb(1) atom. In the third Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cu(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Cu6PbSe2Cl5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.861
_cell_length_b   9.861
_cell_length_c   15.491
_cell_angle_alpha   62.897
_cell_angle_beta   62.897
_cell_angle_gamma   37.070
_symmetry_Int_Tables_number   1
_cell_volume   796.282
_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
  Cu  Cu0  1  0.348  0.348  0.834  1.0
  Cu  Cu1  1  0.931  0.931  0.465  1.0
  Cu  Cu2  1  0.069  0.069  0.535  1.0
  Cu  Cu3  1  0.560  0.560  0.047  1.0
  Cu  Cu4  1  0.768  0.261  0.743  1.0
  Cu  Cu5  1  0.440  0.440  0.953  1.0
  Cu  Cu6  1  0.232  0.739  0.257  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Cu  Cu8  1  0.652  0.652  0.166  1.0
  Cu  Cu9  1  0.261  0.768  0.743  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.739  0.232  0.257  1.0
  Pb  Pb12  1  0.794  0.794  0.361  1.0
  Pb  Pb13  1  0.206  0.206  0.639  1.0
  Se  Se14  1  0.127  0.127  0.291  1.0
  Se  Se15  1  0.873  0.873  0.709  1.0
  Se  Se16  1  0.642  0.642  0.800  1.0
  Se  Se17  1  0.358  0.358  0.200  1.0
  Cl  Cl18  1  0.305  0.305  0.005  1.0
  Cl  Cl19  1  0.586  0.586  0.551  1.0
  Cl  Cl20  1  0.937  0.937  0.920  1.0
  Cl  Cl21  1  0.063  0.063  0.080  1.0
  Cl  Cl22  1  0.790  0.790  0.559  1.0
  Cl  Cl23  1  0.210  0.210  0.441  1.0
  Cl  Cl24  1  0.238  0.238  0.812  1.0
  Cl  Cl25  1  0.762  0.762  0.188  1.0
  Cl  Cl26  1  0.695  0.695  0.995  1.0
  Cl  Cl27  1  0.414  0.414  0.449  1.0
  O  O28  1  0.403  0.832  0.750  1.0
  O  O29  1  0.689  0.125  0.748  1.0
  O  O30  1  0.948  0.948  0.583  1.0
  O  O31  1  0.125  0.689  0.748  1.0
  O  O32  1  0.311  0.875  0.252  1.0
  O  O33  1  0.832  0.403  0.750  1.0
  O  O34  1  0.875  0.311  0.252  1.0
  O  O35  1  0.597  0.168  0.250  1.0
  O  O36  1  0.168  0.597  0.250  1.0
  O  O37  1  0.558  0.558  0.920  1.0
  O  O38  1  0.933  0.933  0.340  1.0
  O  O39  1  0.052  0.052  0.417  1.0
  O  O40  1  0.442  0.442  0.080  1.0
  O  O41  1  0.540  0.540  0.181  1.0
  O  O42  1  0.460  0.460  0.819  1.0
  O  O43  1  0.067  0.067  0.660  1.0
[/CIF]
.