The crystal structure described by Pb3O2Cl4F crystallizes in the triclinic P-1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(2), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(1), one Cl(2), one Cl(4), and one F(1) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one Cl(1), one Cl(3), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Pb(1) and one Cl(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Pb(1), one Pb(2), and one Pb(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(2) atom. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form distorted edge-sharing FPb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb3Cl4O2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.256
_cell_length_b   8.029
_cell_length_c   8.885
_cell_angle_alpha   102.858
_cell_angle_beta   103.265
_cell_angle_gamma   91.658
_symmetry_Int_Tables_number   1
_cell_volume   489.442
_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
  Pb  Pb0  1  0.331  0.208  0.367  1.0
  Pb  Pb1  1  0.669  0.792  0.633  1.0
  Pb  Pb2  1  0.297  0.357  0.915  1.0
  Pb  Pb3  1  0.703  0.643  0.085  1.0
  Pb  Pb4  1  0.246  0.839  0.910  1.0
  Pb  Pb5  1  0.754  0.161  0.090  1.0
  Cl  Cl6  1  0.106  0.408  0.176  1.0
  Cl  Cl7  1  0.894  0.592  0.824  1.0
  Cl  Cl8  1  0.692  0.488  0.366  1.0
  Cl  Cl9  1  0.308  0.512  0.634  1.0
  Cl  Cl10  1  0.092  0.913  0.186  1.0
  Cl  Cl11  1  0.908  0.087  0.814  1.0
  Cl  Cl12  1  0.683  0.939  0.356  1.0
  Cl  Cl13  1  0.317  0.061  0.644  1.0
  O  O14  1  0.607  0.368  0.971  1.0
  O  O15  1  0.393  0.632  0.029  1.0
  O  O16  1  0.905  0.749  0.486  1.0
  O  O17  1  0.095  0.251  0.514  1.0
  F  F18  1  0.607  0.867  0.934  1.0
  F  F19  1  0.393  0.133  0.066  1.0
[/CIF]
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The crystal structure described by Pb3O2Cl4F crystallizes in the triclinic P-1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(2), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(1), one Cl(2), one Cl(4), and one F(1) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one Cl(1), one Cl(3), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Pb(1) and one Cl(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Pb(1), one Pb(2), and one Pb(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(2) atom. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form distorted edge-sharing FPb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb3Cl4O2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.256
_cell_length_b   8.029
_cell_length_c   8.885
_cell_angle_alpha   102.858
_cell_angle_beta   103.265
_cell_angle_gamma   91.658
_symmetry_Int_Tables_number   1
_cell_volume   489.442
_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
  Pb  Pb0  1  0.331  0.208  0.367  1.0
  Pb  Pb1  1  0.669  0.792  0.633  1.0
  Pb  Pb2  1  0.297  0.357  0.915  1.0
  Pb  Pb3  1  0.703  0.643  0.085  1.0
  Pb  Pb4  1  0.246  0.839  0.910  1.0
  Pb  Pb5  1  0.754  0.161  0.090  1.0
  Cl  Cl6  1  0.106  0.408  0.176  1.0
  Cl  Cl7  1  0.894  0.592  0.824  1.0
  Cl  Cl8  1  0.692  0.488  0.366  1.0
  Cl  Cl9  1  0.308  0.512  0.634  1.0
  Cl  Cl10  1  0.092  0.913  0.186  1.0
  Cl  Cl11  1  0.908  0.087  0.814  1.0
  Cl  Cl12  1  0.683  0.939  0.356  1.0
  Cl  Cl13  1  0.317  0.061  0.644  1.0
  O  O14  1  0.607  0.368  0.971  1.0
  O  O15  1  0.393  0.632  0.029  1.0
  O  O16  1  0.905  0.749  0.486  1.0
  O  O17  1  0.095  0.251  0.514  1.0
  F  F18  1  0.607  0.867  0.934  1.0
  F  F19  1  0.393  0.133  0.066  1.0
[/CIF]
.