The material structure described by Pb5As3O9Cl 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 3-coordinate geometry to three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(1), four equivalent O(2), and two equivalent Cl(1) atoms. As(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Pb(2), two equivalent Pb(1), and one As(1) atom to form distorted OAsPb3 tetrahedra that share corners with two equivalent Cl(1)Pb6 octahedra and edges with two equivalent O(1)AsPb3 tetrahedra. The corner-sharing octahedral tilt angles are 37°. 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. Cl(1) is bonded to six equivalent Pb(2) atoms to form ClPb6 octahedra that share corners with six equivalent O(1)AsPb3 tetrahedra and faces with two equivalent Cl(1)Pb6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_As3Pb5ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.597
_cell_length_b   10.597
_cell_length_c   7.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   690.928
_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  0.415  0.400  0.250  1.0
  As  As1  1  0.015  0.415  0.750  1.0
  As  As2  1  0.400  0.985  0.750  1.0
  As  As3  1  0.600  0.015  0.250  1.0
  As  As4  1  0.985  0.585  0.250  1.0
  As  As5  1  0.585  0.600  0.750  1.0
  Pb  Pb6  1  0.333  0.667  0.988  1.0
  Pb  Pb7  1  0.667  0.333  0.488  1.0
  Pb  Pb8  1  0.667  0.333  0.012  1.0
  Pb  Pb9  1  0.333  0.667  0.512  1.0
  Pb  Pb10  1  0.268  0.042  0.250  1.0
  Pb  Pb11  1  0.225  0.268  0.750  1.0
  Pb  Pb12  1  0.042  0.775  0.750  1.0
  Pb  Pb13  1  0.958  0.225  0.250  1.0
  Pb  Pb14  1  0.775  0.732  0.250  1.0
  Pb  Pb15  1  0.732  0.958  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  0.613  0.463  0.250  1.0
  O  O19  1  0.149  0.613  0.750  1.0
  O  O20  1  0.463  0.851  0.750  1.0
  O  O21  1  0.537  0.149  0.250  1.0
  O  O22  1  0.851  0.387  0.250  1.0
  O  O23  1  0.387  0.537  0.750  1.0
  O  O24  1  0.370  0.276  0.058  1.0
  O  O25  1  0.094  0.370  0.558  1.0
  O  O26  1  0.276  0.906  0.558  1.0
  O  O27  1  0.724  0.094  0.058  1.0
  O  O28  1  0.906  0.630  0.058  1.0
  O  O29  1  0.630  0.724  0.558  1.0
  O  O30  1  0.630  0.724  0.942  1.0
  O  O31  1  0.906  0.630  0.442  1.0
  O  O32  1  0.724  0.094  0.442  1.0
  O  O33  1  0.276  0.906  0.942  1.0
  O  O34  1  0.094  0.370  0.942  1.0
  O  O35  1  0.370  0.276  0.442  1.0
[/CIF]
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The material structure described by Pb5As3O9Cl 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 3-coordinate geometry to three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(1), four equivalent O(2), and two equivalent Cl(1) atoms. As(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Pb(2), two equivalent Pb(1), and one As(1) atom to form distorted OAsPb3 tetrahedra that share corners with two equivalent Cl(1)Pb6 octahedra and edges with two equivalent O(1)AsPb3 tetrahedra. The corner-sharing octahedral tilt angles are 37°. 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. Cl(1) is bonded to six equivalent Pb(2) atoms to form ClPb6 octahedra that share corners with six equivalent O(1)AsPb3 tetrahedra and faces with two equivalent Cl(1)Pb6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_As3Pb5ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.597
_cell_length_b   10.597
_cell_length_c   7.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   690.928
_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  0.415  0.400  0.250  1.0
  As  As1  1  0.015  0.415  0.750  1.0
  As  As2  1  0.400  0.985  0.750  1.0
  As  As3  1  0.600  0.015  0.250  1.0
  As  As4  1  0.985  0.585  0.250  1.0
  As  As5  1  0.585  0.600  0.750  1.0
  Pb  Pb6  1  0.333  0.667  0.988  1.0
  Pb  Pb7  1  0.667  0.333  0.488  1.0
  Pb  Pb8  1  0.667  0.333  0.012  1.0
  Pb  Pb9  1  0.333  0.667  0.512  1.0
  Pb  Pb10  1  0.268  0.042  0.250  1.0
  Pb  Pb11  1  0.225  0.268  0.750  1.0
  Pb  Pb12  1  0.042  0.775  0.750  1.0
  Pb  Pb13  1  0.958  0.225  0.250  1.0
  Pb  Pb14  1  0.775  0.732  0.250  1.0
  Pb  Pb15  1  0.732  0.958  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  0.613  0.463  0.250  1.0
  O  O19  1  0.149  0.613  0.750  1.0
  O  O20  1  0.463  0.851  0.750  1.0
  O  O21  1  0.537  0.149  0.250  1.0
  O  O22  1  0.851  0.387  0.250  1.0
  O  O23  1  0.387  0.537  0.750  1.0
  O  O24  1  0.370  0.276  0.058  1.0
  O  O25  1  0.094  0.370  0.558  1.0
  O  O26  1  0.276  0.906  0.558  1.0
  O  O27  1  0.724  0.094  0.058  1.0
  O  O28  1  0.906  0.630  0.058  1.0
  O  O29  1  0.630  0.724  0.558  1.0
  O  O30  1  0.630  0.724  0.942  1.0
  O  O31  1  0.906  0.630  0.442  1.0
  O  O32  1  0.724  0.094  0.442  1.0
  O  O33  1  0.276  0.906  0.942  1.0
  O  O34  1  0.094  0.370  0.942  1.0
  O  O35  1  0.370  0.276  0.442  1.0
[/CIF]
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