The material described by H2(Pb3OCl4F)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 1333-74-0 atoms inside a Pb3OCl4F framework. In the Pb3OCl4F framework, there are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), two equivalent Cl(3), two equivalent Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent F(1) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(3), one Cl(4), and one F(1) atom. O(1) is bonded in a trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(3) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(2) atom. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Pb(1) and one Pb(2) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Pb(3) and two equivalent Pb(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted rectangular see-saw-like geometry to one Pb(2), one Pb(3), and two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms to form edge-sharing FPb4 tetrahedra. is represented by the CIF card [CIF]
data_HPb3Cl4OF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.869
_cell_length_b   7.314
_cell_length_c   17.132
_cell_angle_alpha   78.362
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   965.755
_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
  H  H0  1  0.889  0.987  0.252  1.0
  H  H1  1  0.111  0.013  0.748  1.0
  H  H2  1  0.389  0.013  0.248  1.0
  H  H3  1  0.611  0.987  0.752  1.0
  Pb  Pb4  1  0.882  0.658  0.183  1.0
  Pb  Pb5  1  0.118  0.342  0.817  1.0
  Pb  Pb6  1  0.382  0.342  0.317  1.0
  Pb  Pb7  1  0.618  0.658  0.683  1.0
  Pb  Pb8  1  0.858  0.252  0.044  1.0
  Pb  Pb9  1  0.142  0.748  0.956  1.0
  Pb  Pb10  1  0.358  0.748  0.456  1.0
  Pb  Pb11  1  0.642  0.252  0.544  1.0
  Pb  Pb12  1  0.877  0.719  0.451  1.0
  Pb  Pb13  1  0.123  0.281  0.549  1.0
  Pb  Pb14  1  0.377  0.281  0.049  1.0
  Pb  Pb15  1  0.623  0.719  0.951  1.0
  Cl  Cl16  1  0.634  0.923  0.096  1.0
  Cl  Cl17  1  0.366  0.077  0.904  1.0
  Cl  Cl18  1  0.134  0.077  0.404  1.0
  Cl  Cl19  1  0.866  0.923  0.596  1.0
  Cl  Cl20  1  0.131  0.918  0.099  1.0
  Cl  Cl21  1  0.869  0.082  0.901  1.0
  Cl  Cl22  1  0.631  0.082  0.401  1.0
  Cl  Cl23  1  0.369  0.918  0.599  1.0
  Cl  Cl24  1  0.625  0.644  0.325  1.0
  Cl  Cl25  1  0.375  0.356  0.675  1.0
  Cl  Cl26  1  0.125  0.356  0.175  1.0
  Cl  Cl27  1  0.875  0.644  0.825  1.0
  Cl  Cl28  1  0.636  0.349  0.179  1.0
  Cl  Cl29  1  0.364  0.651  0.821  1.0
  Cl  Cl30  1  0.136  0.651  0.321  1.0
  Cl  Cl31  1  0.864  0.349  0.679  1.0
  O  O32  1  0.386  0.599  0.019  1.0
  O  O33  1  0.614  0.401  0.981  1.0
  O  O34  1  0.886  0.401  0.481  1.0
  O  O35  1  0.114  0.599  0.519  1.0
  F  F36  1  0.879  0.614  0.039  1.0
  F  F37  1  0.121  0.386  0.961  1.0
  F  F38  1  0.379  0.386  0.461  1.0
  F  F39  1  0.621  0.614  0.539  1.0
[/CIF]
.
The material described by H2(Pb3OCl4F)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 1333-74-0 atoms inside a Pb3OCl4F framework. In the Pb3OCl4F framework, there are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), two equivalent Cl(3), two equivalent Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent F(1) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(3), one Cl(4), and one F(1) atom. O(1) is bonded in a trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(3) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(2) atom. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Pb(1) and one Pb(2) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Pb(3) and two equivalent Pb(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted rectangular see-saw-like geometry to one Pb(2), one Pb(3), and two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms to form edge-sharing FPb4 tetrahedra. is represented by the CIF card [CIF]
data_HPb3Cl4OF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.869
_cell_length_b   7.314
_cell_length_c   17.132
_cell_angle_alpha   78.362
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   965.755
_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
  H  H0  1  0.889  0.987  0.252  1.0
  H  H1  1  0.111  0.013  0.748  1.0
  H  H2  1  0.389  0.013  0.248  1.0
  H  H3  1  0.611  0.987  0.752  1.0
  Pb  Pb4  1  0.882  0.658  0.183  1.0
  Pb  Pb5  1  0.118  0.342  0.817  1.0
  Pb  Pb6  1  0.382  0.342  0.317  1.0
  Pb  Pb7  1  0.618  0.658  0.683  1.0
  Pb  Pb8  1  0.858  0.252  0.044  1.0
  Pb  Pb9  1  0.142  0.748  0.956  1.0
  Pb  Pb10  1  0.358  0.748  0.456  1.0
  Pb  Pb11  1  0.642  0.252  0.544  1.0
  Pb  Pb12  1  0.877  0.719  0.451  1.0
  Pb  Pb13  1  0.123  0.281  0.549  1.0
  Pb  Pb14  1  0.377  0.281  0.049  1.0
  Pb  Pb15  1  0.623  0.719  0.951  1.0
  Cl  Cl16  1  0.634  0.923  0.096  1.0
  Cl  Cl17  1  0.366  0.077  0.904  1.0
  Cl  Cl18  1  0.134  0.077  0.404  1.0
  Cl  Cl19  1  0.866  0.923  0.596  1.0
  Cl  Cl20  1  0.131  0.918  0.099  1.0
  Cl  Cl21  1  0.869  0.082  0.901  1.0
  Cl  Cl22  1  0.631  0.082  0.401  1.0
  Cl  Cl23  1  0.369  0.918  0.599  1.0
  Cl  Cl24  1  0.625  0.644  0.325  1.0
  Cl  Cl25  1  0.375  0.356  0.675  1.0
  Cl  Cl26  1  0.125  0.356  0.175  1.0
  Cl  Cl27  1  0.875  0.644  0.825  1.0
  Cl  Cl28  1  0.636  0.349  0.179  1.0
  Cl  Cl29  1  0.364  0.651  0.821  1.0
  Cl  Cl30  1  0.136  0.651  0.321  1.0
  Cl  Cl31  1  0.864  0.349  0.679  1.0
  O  O32  1  0.386  0.599  0.019  1.0
  O  O33  1  0.614  0.401  0.981  1.0
  O  O34  1  0.886  0.401  0.481  1.0
  O  O35  1  0.114  0.599  0.519  1.0
  F  F36  1  0.879  0.614  0.039  1.0
  F  F37  1  0.121  0.386  0.961  1.0
  F  F38  1  0.379  0.386  0.461  1.0
  F  F39  1  0.621  0.614  0.539  1.0
[/CIF]
.