The structure described by CuPb5Se4(O3Cl)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent Cl(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one Cl(2) atom. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), one Cl(2), and three equivalent Cl(1) atoms. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(1) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a T-shaped geometry to one Cu(1), one Pb(1), and one Pb(2) atom. is represented by the CIF card [CIF]
data_CuPb5Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.909
_cell_length_b   12.909
_cell_length_c   14.388
_cell_angle_alpha   79.565
_cell_angle_beta   79.565
_cell_angle_gamma   24.696
_symmetry_Int_Tables_number   1
_cell_volume   984.322
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Pb  Pb2  1  0.948  0.830  0.176  1.0
  Pb  Pb3  1  0.170  0.052  0.324  1.0
  Pb  Pb4  1  0.052  0.170  0.824  1.0
  Pb  Pb5  1  0.830  0.948  0.676  1.0
  Pb  Pb6  1  0.746  0.716  0.369  1.0
  Pb  Pb7  1  0.284  0.254  0.131  1.0
  Pb  Pb8  1  0.254  0.284  0.631  1.0
  Pb  Pb9  1  0.716  0.746  0.869  1.0
  Pb  Pb10  1  0.565  0.435  0.250  1.0
  Pb  Pb11  1  0.435  0.565  0.750  1.0
  Se  Se12  1  0.340  0.335  0.323  1.0
  Se  Se13  1  0.665  0.660  0.177  1.0
  Se  Se14  1  0.660  0.665  0.677  1.0
  Se  Se15  1  0.335  0.340  0.823  1.0
  Se  Se16  1  0.966  0.944  0.417  1.0
  Se  Se17  1  0.056  0.034  0.083  1.0
  Se  Se18  1  0.034  0.056  0.583  1.0
  Se  Se19  1  0.944  0.966  0.917  1.0
  Cl  Cl20  1  0.197  0.220  0.458  1.0
  Cl  Cl21  1  0.780  0.803  0.042  1.0
  Cl  Cl22  1  0.803  0.780  0.542  1.0
  Cl  Cl23  1  0.220  0.197  0.958  1.0
  Cl  Cl24  1  0.419  0.355  0.538  1.0
  Cl  Cl25  1  0.645  0.581  0.962  1.0
  Cl  Cl26  1  0.581  0.645  0.462  1.0
  Cl  Cl27  1  0.355  0.419  0.038  1.0
  O  O28  1  0.553  0.076  0.261  1.0
  O  O29  1  0.924  0.447  0.239  1.0
  O  O30  1  0.447  0.924  0.739  1.0
  O  O31  1  0.076  0.553  0.761  1.0
  O  O32  1  0.882  0.991  0.312  1.0
  O  O33  1  0.009  0.118  0.188  1.0
  O  O34  1  0.118  0.009  0.688  1.0
  O  O35  1  0.991  0.882  0.812  1.0
  O  O36  1  0.067  0.545  0.275  1.0
  O  O37  1  0.455  0.933  0.225  1.0
  O  O38  1  0.933  0.455  0.725  1.0
  O  O39  1  0.545  0.067  0.775  1.0
  O  O40  1  0.262  0.735  0.393  1.0
  O  O41  1  0.265  0.738  0.107  1.0
  O  O42  1  0.738  0.265  0.607  1.0
  O  O43  1  0.735  0.262  0.893  1.0
  O  O44  1  0.798  0.216  0.414  1.0
  O  O45  1  0.784  0.202  0.086  1.0
  O  O46  1  0.202  0.784  0.586  1.0
  O  O47  1  0.216  0.798  0.914  1.0
  O  O48  1  0.344  0.459  0.261  1.0
  O  O49  1  0.541  0.656  0.239  1.0
  O  O50  1  0.656  0.541  0.739  1.0
  O  O51  1  0.459  0.344  0.761  1.0
[/CIF]
.
The structure described by CuPb5Se4(O3Cl)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent Cl(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one Cl(2) atom. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), one Cl(2), and three equivalent Cl(1) atoms. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(1) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a T-shaped geometry to one Cu(1), one Pb(1), and one Pb(2) atom. is represented by the CIF card [CIF]
data_CuPb5Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.909
_cell_length_b   12.909
_cell_length_c   14.388
_cell_angle_alpha   79.565
_cell_angle_beta   79.565
_cell_angle_gamma   24.696
_symmetry_Int_Tables_number   1
_cell_volume   984.322
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Pb  Pb2  1  0.948  0.830  0.176  1.0
  Pb  Pb3  1  0.170  0.052  0.324  1.0
  Pb  Pb4  1  0.052  0.170  0.824  1.0
  Pb  Pb5  1  0.830  0.948  0.676  1.0
  Pb  Pb6  1  0.746  0.716  0.369  1.0
  Pb  Pb7  1  0.284  0.254  0.131  1.0
  Pb  Pb8  1  0.254  0.284  0.631  1.0
  Pb  Pb9  1  0.716  0.746  0.869  1.0
  Pb  Pb10  1  0.565  0.435  0.250  1.0
  Pb  Pb11  1  0.435  0.565  0.750  1.0
  Se  Se12  1  0.340  0.335  0.323  1.0
  Se  Se13  1  0.665  0.660  0.177  1.0
  Se  Se14  1  0.660  0.665  0.677  1.0
  Se  Se15  1  0.335  0.340  0.823  1.0
  Se  Se16  1  0.966  0.944  0.417  1.0
  Se  Se17  1  0.056  0.034  0.083  1.0
  Se  Se18  1  0.034  0.056  0.583  1.0
  Se  Se19  1  0.944  0.966  0.917  1.0
  Cl  Cl20  1  0.197  0.220  0.458  1.0
  Cl  Cl21  1  0.780  0.803  0.042  1.0
  Cl  Cl22  1  0.803  0.780  0.542  1.0
  Cl  Cl23  1  0.220  0.197  0.958  1.0
  Cl  Cl24  1  0.419  0.355  0.538  1.0
  Cl  Cl25  1  0.645  0.581  0.962  1.0
  Cl  Cl26  1  0.581  0.645  0.462  1.0
  Cl  Cl27  1  0.355  0.419  0.038  1.0
  O  O28  1  0.553  0.076  0.261  1.0
  O  O29  1  0.924  0.447  0.239  1.0
  O  O30  1  0.447  0.924  0.739  1.0
  O  O31  1  0.076  0.553  0.761  1.0
  O  O32  1  0.882  0.991  0.312  1.0
  O  O33  1  0.009  0.118  0.188  1.0
  O  O34  1  0.118  0.009  0.688  1.0
  O  O35  1  0.991  0.882  0.812  1.0
  O  O36  1  0.067  0.545  0.275  1.0
  O  O37  1  0.455  0.933  0.225  1.0
  O  O38  1  0.933  0.455  0.725  1.0
  O  O39  1  0.545  0.067  0.775  1.0
  O  O40  1  0.262  0.735  0.393  1.0
  O  O41  1  0.265  0.738  0.107  1.0
  O  O42  1  0.738  0.265  0.607  1.0
  O  O43  1  0.735  0.262  0.893  1.0
  O  O44  1  0.798  0.216  0.414  1.0
  O  O45  1  0.784  0.202  0.086  1.0
  O  O46  1  0.202  0.784  0.586  1.0
  O  O47  1  0.216  0.798  0.914  1.0
  O  O48  1  0.344  0.459  0.261  1.0
  O  O49  1  0.541  0.656  0.239  1.0
  O  O50  1  0.656  0.541  0.739  1.0
  O  O51  1  0.459  0.344  0.761  1.0
[/CIF]
.