The structure described by PbCu2(SeO3)2Cl2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent Cl(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one Pb(1), and one Se(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), and one Se(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Cu(2) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2PbSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.118
_cell_length_b   8.118
_cell_length_c   6.913
_cell_angle_alpha   89.170
_cell_angle_beta   89.170
_cell_angle_gamma   72.316
_symmetry_Int_Tables_number   1
_cell_volume   433.959
_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  0.890  0.110  0.750  1.0
  Cu  Cu1  1  0.110  0.890  0.250  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Pb  Pb4  1  0.658  0.342  0.250  1.0
  Pb  Pb5  1  0.342  0.658  0.750  1.0
  Se  Se6  1  0.732  0.932  0.088  1.0
  Se  Se7  1  0.068  0.268  0.412  1.0
  Se  Se8  1  0.268  0.068  0.912  1.0
  Se  Se9  1  0.932  0.732  0.588  1.0
  Cl  Cl10  1  0.272  0.474  0.118  1.0
  Cl  Cl11  1  0.526  0.728  0.382  1.0
  Cl  Cl12  1  0.728  0.526  0.882  1.0
  Cl  Cl13  1  0.474  0.272  0.618  1.0
  O  O14  1  0.801  0.104  0.008  1.0
  O  O15  1  0.896  0.199  0.492  1.0
  O  O16  1  0.199  0.896  0.992  1.0
  O  O17  1  0.104  0.801  0.508  1.0
  O  O18  1  0.949  0.372  0.215  1.0
  O  O19  1  0.628  0.051  0.285  1.0
  O  O20  1  0.051  0.628  0.785  1.0
  O  O21  1  0.372  0.949  0.715  1.0
  O  O22  1  0.919  0.797  0.179  1.0
  O  O23  1  0.203  0.081  0.321  1.0
  O  O24  1  0.081  0.203  0.821  1.0
  O  O25  1  0.797  0.919  0.679  1.0
[/CIF]
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The structure described by PbCu2(SeO3)2Cl2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent Cl(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one Pb(1), and one Se(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), and one Se(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Cu(2) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2PbSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.118
_cell_length_b   8.118
_cell_length_c   6.913
_cell_angle_alpha   89.170
_cell_angle_beta   89.170
_cell_angle_gamma   72.316
_symmetry_Int_Tables_number   1
_cell_volume   433.959
_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  0.890  0.110  0.750  1.0
  Cu  Cu1  1  0.110  0.890  0.250  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Pb  Pb4  1  0.658  0.342  0.250  1.0
  Pb  Pb5  1  0.342  0.658  0.750  1.0
  Se  Se6  1  0.732  0.932  0.088  1.0
  Se  Se7  1  0.068  0.268  0.412  1.0
  Se  Se8  1  0.268  0.068  0.912  1.0
  Se  Se9  1  0.932  0.732  0.588  1.0
  Cl  Cl10  1  0.272  0.474  0.118  1.0
  Cl  Cl11  1  0.526  0.728  0.382  1.0
  Cl  Cl12  1  0.728  0.526  0.882  1.0
  Cl  Cl13  1  0.474  0.272  0.618  1.0
  O  O14  1  0.801  0.104  0.008  1.0
  O  O15  1  0.896  0.199  0.492  1.0
  O  O16  1  0.199  0.896  0.992  1.0
  O  O17  1  0.104  0.801  0.508  1.0
  O  O18  1  0.949  0.372  0.215  1.0
  O  O19  1  0.628  0.051  0.285  1.0
  O  O20  1  0.051  0.628  0.785  1.0
  O  O21  1  0.372  0.949  0.715  1.0
  O  O22  1  0.919  0.797  0.179  1.0
  O  O23  1  0.203  0.081  0.321  1.0
  O  O24  1  0.081  0.203  0.821  1.0
  O  O25  1  0.797  0.919  0.679  1.0
[/CIF]
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