The compound described by Pb5(AsO4)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 5-coordinate geometry to one O(3), four equivalent O(1), and two equivalent Cl(1) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) 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 As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), two equivalent Pb(2), and one As(1) atom. Cl(1) is bonded to six equivalent Pb(1) atoms to form face-sharing ClPb6 octahedra. is represented by the CIF card [CIF]
data_As3Pb5ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.330
_cell_length_b   10.330
_cell_length_c   7.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   679.064
_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
  As  As0  1  0.383  0.973  0.750  1.0
  As  As1  1  0.590  0.617  0.750  1.0
  As  As2  1  0.973  0.590  0.250  1.0
  As  As3  1  0.027  0.410  0.750  1.0
  As  As4  1  0.410  0.383  0.250  1.0
  As  As5  1  0.617  0.027  0.250  1.0
  Pb  Pb6  1  0.256  0.017  0.250  1.0
  Pb  Pb7  1  0.667  0.333  0.506  1.0
  Pb  Pb8  1  0.238  0.256  0.750  1.0
  Pb  Pb9  1  0.762  0.744  0.250  1.0
  Pb  Pb10  1  0.333  0.667  0.494  1.0
  Pb  Pb11  1  0.983  0.238  0.250  1.0
  Pb  Pb12  1  0.667  0.333  0.994  1.0
  Pb  Pb13  1  0.017  0.762  0.750  1.0
  Pb  Pb14  1  0.333  0.667  0.006  1.0
  Pb  Pb15  1  0.744  0.983  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  0.908  0.641  0.066  1.0
  O  O19  1  0.267  0.908  0.934  1.0
  O  O20  1  0.641  0.733  0.934  1.0
  O  O21  1  0.502  0.839  0.250  1.0
  O  O22  1  0.338  0.498  0.250  1.0
  O  O23  1  0.517  0.120  0.250  1.0
  O  O24  1  0.267  0.908  0.566  1.0
  O  O25  1  0.359  0.267  0.434  1.0
  O  O26  1  0.908  0.641  0.434  1.0
  O  O27  1  0.092  0.359  0.934  1.0
  O  O28  1  0.120  0.602  0.750  1.0
  O  O29  1  0.602  0.483  0.250  1.0
  O  O30  1  0.880  0.398  0.250  1.0
  O  O31  1  0.662  0.502  0.750  1.0
  O  O32  1  0.839  0.338  0.750  1.0
  O  O33  1  0.398  0.517  0.750  1.0
  O  O34  1  0.161  0.662  0.250  1.0
  O  O35  1  0.641  0.733  0.566  1.0
  O  O36  1  0.092  0.359  0.566  1.0
  O  O37  1  0.733  0.092  0.066  1.0
  O  O38  1  0.733  0.092  0.434  1.0
  O  O39  1  0.483  0.880  0.750  1.0
  O  O40  1  0.359  0.267  0.066  1.0
  O  O41  1  0.498  0.161  0.750  1.0
[/CIF]
.
The compound described by Pb5(AsO4)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 5-coordinate geometry to one O(3), four equivalent O(1), and two equivalent Cl(1) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) 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 As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), two equivalent Pb(2), and one As(1) atom. Cl(1) is bonded to six equivalent Pb(1) atoms to form face-sharing ClPb6 octahedra. is represented by the CIF card [CIF]
data_As3Pb5ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.330
_cell_length_b   10.330
_cell_length_c   7.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   679.064
_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
  As  As0  1  0.383  0.973  0.750  1.0
  As  As1  1  0.590  0.617  0.750  1.0
  As  As2  1  0.973  0.590  0.250  1.0
  As  As3  1  0.027  0.410  0.750  1.0
  As  As4  1  0.410  0.383  0.250  1.0
  As  As5  1  0.617  0.027  0.250  1.0
  Pb  Pb6  1  0.256  0.017  0.250  1.0
  Pb  Pb7  1  0.667  0.333  0.506  1.0
  Pb  Pb8  1  0.238  0.256  0.750  1.0
  Pb  Pb9  1  0.762  0.744  0.250  1.0
  Pb  Pb10  1  0.333  0.667  0.494  1.0
  Pb  Pb11  1  0.983  0.238  0.250  1.0
  Pb  Pb12  1  0.667  0.333  0.994  1.0
  Pb  Pb13  1  0.017  0.762  0.750  1.0
  Pb  Pb14  1  0.333  0.667  0.006  1.0
  Pb  Pb15  1  0.744  0.983  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  0.908  0.641  0.066  1.0
  O  O19  1  0.267  0.908  0.934  1.0
  O  O20  1  0.641  0.733  0.934  1.0
  O  O21  1  0.502  0.839  0.250  1.0
  O  O22  1  0.338  0.498  0.250  1.0
  O  O23  1  0.517  0.120  0.250  1.0
  O  O24  1  0.267  0.908  0.566  1.0
  O  O25  1  0.359  0.267  0.434  1.0
  O  O26  1  0.908  0.641  0.434  1.0
  O  O27  1  0.092  0.359  0.934  1.0
  O  O28  1  0.120  0.602  0.750  1.0
  O  O29  1  0.602  0.483  0.250  1.0
  O  O30  1  0.880  0.398  0.250  1.0
  O  O31  1  0.662  0.502  0.750  1.0
  O  O32  1  0.839  0.338  0.750  1.0
  O  O33  1  0.398  0.517  0.750  1.0
  O  O34  1  0.161  0.662  0.250  1.0
  O  O35  1  0.641  0.733  0.566  1.0
  O  O36  1  0.092  0.359  0.566  1.0
  O  O37  1  0.733  0.092  0.066  1.0
  O  O38  1  0.733  0.092  0.434  1.0
  O  O39  1  0.483  0.880  0.750  1.0
  O  O40  1  0.359  0.267  0.066  1.0
  O  O41  1  0.498  0.161  0.750  1.0
[/CIF]
.