The compound described by Pb3O2Cl4F crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(2), one Cl(1), one Cl(3), two equivalent Cl(2), two equivalent Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), one Cl(2), two equivalent Cl(1), and one F(1) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1), one Pb(2), and one Cl(2) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Pb(2), one Pb(3), two equivalent Pb(1), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form edge-sharing FPb4 tetrahedra. is represented by the CIF file [CIF]
data_Pb3Cl4O2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.015
_cell_length_b   7.278
_cell_length_c   17.143
_cell_angle_alpha   73.847
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   960.551
_cell_formula_units_Z   4
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
  Pb  Pb0  1  0.377  0.657  0.684  1.0
  Pb  Pb1  1  0.877  0.343  0.816  1.0
  Pb  Pb2  1  0.623  0.343  0.316  1.0
  Pb  Pb3  1  0.123  0.657  0.184  1.0
  Pb  Pb4  1  0.378  0.736  0.946  1.0
  Pb  Pb5  1  0.878  0.264  0.554  1.0
  Pb  Pb6  1  0.622  0.264  0.054  1.0
  Pb  Pb7  1  0.122  0.736  0.446  1.0
  Pb  Pb8  1  0.858  0.744  0.955  1.0
  Pb  Pb9  1  0.358  0.256  0.545  1.0
  Pb  Pb10  1  0.142  0.256  0.045  1.0
  Pb  Pb11  1  0.642  0.744  0.455  1.0
  Cl  Cl12  1  0.134  0.909  0.592  1.0
  Cl  Cl13  1  0.634  0.091  0.908  1.0
  Cl  Cl14  1  0.866  0.091  0.408  1.0
  Cl  Cl15  1  0.366  0.909  0.092  1.0
  Cl  Cl16  1  0.137  0.328  0.686  1.0
  Cl  Cl17  1  0.637  0.672  0.814  1.0
  Cl  Cl18  1  0.863  0.672  0.314  1.0
  Cl  Cl19  1  0.363  0.328  0.186  1.0
  Cl  Cl20  1  0.623  0.904  0.595  1.0
  Cl  Cl21  1  0.123  0.096  0.905  1.0
  Cl  Cl22  1  0.377  0.096  0.405  1.0
  Cl  Cl23  1  0.877  0.904  0.095  1.0
  Cl  Cl24  1  0.622  0.341  0.679  1.0
  Cl  Cl25  1  0.122  0.659  0.821  1.0
  Cl  Cl26  1  0.378  0.659  0.321  1.0
  Cl  Cl27  1  0.878  0.341  0.179  1.0
  O  O28  1  0.391  0.408  0.982  1.0
  O  O29  1  0.891  0.592  0.518  1.0
  O  O30  1  0.609  0.592  0.018  1.0
  O  O31  1  0.109  0.408  0.482  1.0
  O  O32  1  0.878  0.141  0.717  1.0
  O  O33  1  0.378  0.859  0.783  1.0
  O  O34  1  0.122  0.859  0.283  1.0
  O  O35  1  0.622  0.141  0.217  1.0
  F  F36  1  0.882  0.388  0.967  1.0
  F  F37  1  0.382  0.612  0.533  1.0
  F  F38  1  0.118  0.612  0.033  1.0
  F  F39  1  0.618  0.388  0.467  1.0
[/CIF]
.
The compound described by Pb3O2Cl4F crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(2), one Cl(1), one Cl(3), two equivalent Cl(2), two equivalent Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), one Cl(2), two equivalent Cl(1), and one F(1) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1), one Pb(2), and one Cl(2) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Pb(2), one Pb(3), two equivalent Pb(1), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form edge-sharing FPb4 tetrahedra. is represented by the CIF file [CIF]
data_Pb3Cl4O2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.015
_cell_length_b   7.278
_cell_length_c   17.143
_cell_angle_alpha   73.847
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   960.551
_cell_formula_units_Z   4
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
  Pb  Pb0  1  0.377  0.657  0.684  1.0
  Pb  Pb1  1  0.877  0.343  0.816  1.0
  Pb  Pb2  1  0.623  0.343  0.316  1.0
  Pb  Pb3  1  0.123  0.657  0.184  1.0
  Pb  Pb4  1  0.378  0.736  0.946  1.0
  Pb  Pb5  1  0.878  0.264  0.554  1.0
  Pb  Pb6  1  0.622  0.264  0.054  1.0
  Pb  Pb7  1  0.122  0.736  0.446  1.0
  Pb  Pb8  1  0.858  0.744  0.955  1.0
  Pb  Pb9  1  0.358  0.256  0.545  1.0
  Pb  Pb10  1  0.142  0.256  0.045  1.0
  Pb  Pb11  1  0.642  0.744  0.455  1.0
  Cl  Cl12  1  0.134  0.909  0.592  1.0
  Cl  Cl13  1  0.634  0.091  0.908  1.0
  Cl  Cl14  1  0.866  0.091  0.408  1.0
  Cl  Cl15  1  0.366  0.909  0.092  1.0
  Cl  Cl16  1  0.137  0.328  0.686  1.0
  Cl  Cl17  1  0.637  0.672  0.814  1.0
  Cl  Cl18  1  0.863  0.672  0.314  1.0
  Cl  Cl19  1  0.363  0.328  0.186  1.0
  Cl  Cl20  1  0.623  0.904  0.595  1.0
  Cl  Cl21  1  0.123  0.096  0.905  1.0
  Cl  Cl22  1  0.377  0.096  0.405  1.0
  Cl  Cl23  1  0.877  0.904  0.095  1.0
  Cl  Cl24  1  0.622  0.341  0.679  1.0
  Cl  Cl25  1  0.122  0.659  0.821  1.0
  Cl  Cl26  1  0.378  0.659  0.321  1.0
  Cl  Cl27  1  0.878  0.341  0.179  1.0
  O  O28  1  0.391  0.408  0.982  1.0
  O  O29  1  0.891  0.592  0.518  1.0
  O  O30  1  0.609  0.592  0.018  1.0
  O  O31  1  0.109  0.408  0.482  1.0
  O  O32  1  0.878  0.141  0.717  1.0
  O  O33  1  0.378  0.859  0.783  1.0
  O  O34  1  0.122  0.859  0.283  1.0
  O  O35  1  0.622  0.141  0.217  1.0
  F  F36  1  0.882  0.388  0.967  1.0
  F  F37  1  0.382  0.612  0.533  1.0
  F  F38  1  0.118  0.612  0.033  1.0
  F  F39  1  0.618  0.388  0.467  1.0
[/CIF]
.