The crystal structure described by Pb5(VO4)3Cl crystallizes in the hexagonal P6_3/m space group. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), four equivalent O(1), and two equivalent Cl(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(1), one Pb(2), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Pb(1) atoms. Cl(1) is bonded to six equivalent Pb(2) atoms to form face-sharing ClPb6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3Pb5ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.620
_cell_length_b   10.620
_cell_length_c   7.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   715.491
_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
  V  V0  1  0.971  0.586  0.250  1.0
  V  V1  1  0.586  0.616  0.750  1.0
  V  V2  1  0.414  0.384  0.250  1.0
  V  V3  1  0.616  0.029  0.250  1.0
  V  V4  1  0.384  0.971  0.750  1.0
  V  V5  1  0.029  0.414  0.750  1.0
  Pb  Pb6  1  0.667  0.333  0.991  1.0
  Pb  Pb7  1  0.667  0.333  0.509  1.0
  Pb  Pb8  1  0.739  0.977  0.750  1.0
  Pb  Pb9  1  0.977  0.238  0.250  1.0
  Pb  Pb10  1  0.238  0.261  0.750  1.0
  Pb  Pb11  1  0.333  0.667  0.491  1.0
  Pb  Pb12  1  0.762  0.739  0.250  1.0
  Pb  Pb13  1  0.333  0.667  0.009  1.0
  Pb  Pb14  1  0.023  0.762  0.750  1.0
  Pb  Pb15  1  0.261  0.023  0.250  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  0.639  0.730  0.561  1.0
  O  O19  1  0.124  0.607  0.750  1.0
  O  O20  1  0.091  0.361  0.561  1.0
  O  O21  1  0.270  0.909  0.561  1.0
  O  O22  1  0.344  0.503  0.250  1.0
  O  O23  1  0.159  0.656  0.250  1.0
  O  O24  1  0.607  0.482  0.250  1.0
  O  O25  1  0.656  0.497  0.750  1.0
  O  O26  1  0.361  0.270  0.061  1.0
  O  O27  1  0.482  0.876  0.750  1.0
  O  O28  1  0.909  0.639  0.439  1.0
  O  O29  1  0.497  0.841  0.250  1.0
  O  O30  1  0.503  0.159  0.750  1.0
  O  O31  1  0.393  0.518  0.750  1.0
  O  O32  1  0.730  0.091  0.061  1.0
  O  O33  1  0.518  0.124  0.250  1.0
  O  O34  1  0.909  0.639  0.061  1.0
  O  O35  1  0.841  0.344  0.750  1.0
  O  O36  1  0.270  0.909  0.939  1.0
  O  O37  1  0.730  0.091  0.439  1.0
  O  O38  1  0.876  0.393  0.250  1.0
  O  O39  1  0.091  0.361  0.939  1.0
  O  O40  1  0.639  0.730  0.939  1.0
  O  O41  1  0.361  0.270  0.439  1.0
[/CIF]
.
The crystal structure described by Pb5(VO4)3Cl crystallizes in the hexagonal P6_3/m space group. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), four equivalent O(1), and two equivalent Cl(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(1), one Pb(2), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Pb(1) atoms. Cl(1) is bonded to six equivalent Pb(2) atoms to form face-sharing ClPb6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3Pb5ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.620
_cell_length_b   10.620
_cell_length_c   7.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   715.491
_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
  V  V0  1  0.971  0.586  0.250  1.0
  V  V1  1  0.586  0.616  0.750  1.0
  V  V2  1  0.414  0.384  0.250  1.0
  V  V3  1  0.616  0.029  0.250  1.0
  V  V4  1  0.384  0.971  0.750  1.0
  V  V5  1  0.029  0.414  0.750  1.0
  Pb  Pb6  1  0.667  0.333  0.991  1.0
  Pb  Pb7  1  0.667  0.333  0.509  1.0
  Pb  Pb8  1  0.739  0.977  0.750  1.0
  Pb  Pb9  1  0.977  0.238  0.250  1.0
  Pb  Pb10  1  0.238  0.261  0.750  1.0
  Pb  Pb11  1  0.333  0.667  0.491  1.0
  Pb  Pb12  1  0.762  0.739  0.250  1.0
  Pb  Pb13  1  0.333  0.667  0.009  1.0
  Pb  Pb14  1  0.023  0.762  0.750  1.0
  Pb  Pb15  1  0.261  0.023  0.250  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  0.639  0.730  0.561  1.0
  O  O19  1  0.124  0.607  0.750  1.0
  O  O20  1  0.091  0.361  0.561  1.0
  O  O21  1  0.270  0.909  0.561  1.0
  O  O22  1  0.344  0.503  0.250  1.0
  O  O23  1  0.159  0.656  0.250  1.0
  O  O24  1  0.607  0.482  0.250  1.0
  O  O25  1  0.656  0.497  0.750  1.0
  O  O26  1  0.361  0.270  0.061  1.0
  O  O27  1  0.482  0.876  0.750  1.0
  O  O28  1  0.909  0.639  0.439  1.0
  O  O29  1  0.497  0.841  0.250  1.0
  O  O30  1  0.503  0.159  0.750  1.0
  O  O31  1  0.393  0.518  0.750  1.0
  O  O32  1  0.730  0.091  0.061  1.0
  O  O33  1  0.518  0.124  0.250  1.0
  O  O34  1  0.909  0.639  0.061  1.0
  O  O35  1  0.841  0.344  0.750  1.0
  O  O36  1  0.270  0.909  0.939  1.0
  O  O37  1  0.730  0.091  0.439  1.0
  O  O38  1  0.876  0.393  0.250  1.0
  O  O39  1  0.091  0.361  0.939  1.0
  O  O40  1  0.639  0.730  0.939  1.0
  O  O41  1  0.361  0.270  0.439  1.0
[/CIF]
.