The structure described by Pb5(PO4)3Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), four equivalent O(3), and two equivalent Cl(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom. Cl(1) is bonded to six equivalent Pb(2) atoms to form face-sharing ClPb6 octahedra. is represented by the CIF card [CIF]
data_P3Pb5ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.234
_cell_length_b   10.234
_cell_length_c   7.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   667.364
_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
  P  P0  1  0.413  0.378  0.250  1.0
  P  P1  1  0.035  0.413  0.750  1.0
  P  P2  1  0.378  0.965  0.750  1.0
  P  P3  1  0.622  0.035  0.250  1.0
  P  P4  1  0.965  0.587  0.250  1.0
  P  P5  1  0.587  0.622  0.750  1.0
  Pb  Pb6  1  0.333  0.667  0.006  1.0
  Pb  Pb7  1  0.667  0.333  0.506  1.0
  Pb  Pb8  1  0.667  0.333  0.994  1.0
  Pb  Pb9  1  0.333  0.667  0.494  1.0
  Pb  Pb10  1  0.262  0.020  0.250  1.0
  Pb  Pb11  1  0.242  0.262  0.750  1.0
  Pb  Pb12  1  0.020  0.758  0.750  1.0
  Pb  Pb13  1  0.980  0.242  0.250  1.0
  Pb  Pb14  1  0.758  0.738  0.250  1.0
  Pb  Pb15  1  0.738  0.980  0.750  1.0
  Cl  Cl16  1  0.000  0.000  0.000  1.0
  Cl  Cl17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.351  0.488  0.250  1.0
  O  O19  1  0.863  0.351  0.750  1.0
  O  O20  1  0.488  0.137  0.750  1.0
  O  O21  1  0.512  0.863  0.250  1.0
  O  O22  1  0.137  0.649  0.250  1.0
  O  O23  1  0.649  0.512  0.750  1.0
  O  O24  1  0.592  0.468  0.250  1.0
  O  O25  1  0.123  0.592  0.750  1.0
  O  O26  1  0.468  0.877  0.750  1.0
  O  O27  1  0.532  0.123  0.250  1.0
  O  O28  1  0.877  0.408  0.250  1.0
  O  O29  1  0.408  0.532  0.750  1.0
  O  O30  1  0.363  0.273  0.079  1.0
  O  O31  1  0.090  0.363  0.579  1.0
  O  O32  1  0.273  0.910  0.579  1.0
  O  O33  1  0.727  0.090  0.079  1.0
  O  O34  1  0.910  0.637  0.079  1.0
  O  O35  1  0.637  0.727  0.579  1.0
  O  O36  1  0.637  0.727  0.921  1.0
  O  O37  1  0.910  0.637  0.421  1.0
  O  O38  1  0.727  0.090  0.421  1.0
  O  O39  1  0.273  0.910  0.921  1.0
  O  O40  1  0.090  0.363  0.921  1.0
  O  O41  1  0.363  0.273  0.421  1.0
[/CIF]
.
The structure described by Pb5(PO4)3Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), four equivalent O(3), and two equivalent Cl(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom. Cl(1) is bonded to six equivalent Pb(2) atoms to form face-sharing ClPb6 octahedra. is represented by the CIF card [CIF]
data_P3Pb5ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.234
_cell_length_b   10.234
_cell_length_c   7.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   667.364
_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
  P  P0  1  0.413  0.378  0.250  1.0
  P  P1  1  0.035  0.413  0.750  1.0
  P  P2  1  0.378  0.965  0.750  1.0
  P  P3  1  0.622  0.035  0.250  1.0
  P  P4  1  0.965  0.587  0.250  1.0
  P  P5  1  0.587  0.622  0.750  1.0
  Pb  Pb6  1  0.333  0.667  0.006  1.0
  Pb  Pb7  1  0.667  0.333  0.506  1.0
  Pb  Pb8  1  0.667  0.333  0.994  1.0
  Pb  Pb9  1  0.333  0.667  0.494  1.0
  Pb  Pb10  1  0.262  0.020  0.250  1.0
  Pb  Pb11  1  0.242  0.262  0.750  1.0
  Pb  Pb12  1  0.020  0.758  0.750  1.0
  Pb  Pb13  1  0.980  0.242  0.250  1.0
  Pb  Pb14  1  0.758  0.738  0.250  1.0
  Pb  Pb15  1  0.738  0.980  0.750  1.0
  Cl  Cl16  1  0.000  0.000  0.000  1.0
  Cl  Cl17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.351  0.488  0.250  1.0
  O  O19  1  0.863  0.351  0.750  1.0
  O  O20  1  0.488  0.137  0.750  1.0
  O  O21  1  0.512  0.863  0.250  1.0
  O  O22  1  0.137  0.649  0.250  1.0
  O  O23  1  0.649  0.512  0.750  1.0
  O  O24  1  0.592  0.468  0.250  1.0
  O  O25  1  0.123  0.592  0.750  1.0
  O  O26  1  0.468  0.877  0.750  1.0
  O  O27  1  0.532  0.123  0.250  1.0
  O  O28  1  0.877  0.408  0.250  1.0
  O  O29  1  0.408  0.532  0.750  1.0
  O  O30  1  0.363  0.273  0.079  1.0
  O  O31  1  0.090  0.363  0.579  1.0
  O  O32  1  0.273  0.910  0.579  1.0
  O  O33  1  0.727  0.090  0.079  1.0
  O  O34  1  0.910  0.637  0.079  1.0
  O  O35  1  0.637  0.727  0.579  1.0
  O  O36  1  0.637  0.727  0.921  1.0
  O  O37  1  0.910  0.637  0.421  1.0
  O  O38  1  0.727  0.090  0.421  1.0
  O  O39  1  0.273  0.910  0.921  1.0
  O  O40  1  0.090  0.363  0.921  1.0
  O  O41  1  0.363  0.273  0.421  1.0
[/CIF]
.