The crystal structure described by Pb5As3O9Cl crystallizes in the hexagonal P6_3 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one Cl(1) atom. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to three equivalent O(2), three equivalent O(3), and one Cl(1) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one As(1) atom. Cl(1) is bonded in a trigonal pyramidal geometry to one Pb(2) and three equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_As3Pb5ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.793
_cell_length_b   10.793
_cell_length_c   7.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   743.328
_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  0.696  0.650  0.265  1.0
  As  As1  1  0.350  0.046  0.265  1.0
  As  As2  1  0.954  0.304  0.265  1.0
  As  As3  1  0.304  0.350  0.765  1.0
  As  As4  1  0.046  0.696  0.765  1.0
  As  As5  1  0.650  0.954  0.765  1.0
  Pb  Pb6  1  0.312  0.375  0.250  1.0
  Pb  Pb7  1  0.938  0.312  0.750  1.0
  Pb  Pb8  1  0.375  0.062  0.750  1.0
  Pb  Pb9  1  0.625  0.938  0.250  1.0
  Pb  Pb10  1  0.333  0.667  0.640  1.0
  Pb  Pb11  1  0.062  0.688  0.250  1.0
  Pb  Pb12  1  0.667  0.333  0.140  1.0
  Pb  Pb13  1  0.688  0.625  0.750  1.0
  Pb  Pb14  1  0.000  0.000  0.020  1.0
  Pb  Pb15  1  0.000  0.000  0.520  1.0
  Cl  Cl16  1  0.667  0.333  0.744  1.0
  Cl  Cl17  1  0.333  0.667  0.244  1.0
  O  O18  1  0.807  0.842  0.222  1.0
  O  O19  1  0.842  0.035  0.722  1.0
  O  O20  1  0.562  0.931  0.550  1.0
  O  O21  1  0.630  0.562  0.050  1.0
  O  O22  1  0.931  0.370  0.050  1.0
  O  O23  1  0.179  0.412  0.798  1.0
  O  O24  1  0.370  0.438  0.550  1.0
  O  O25  1  0.768  0.179  0.298  1.0
  O  O26  1  0.588  0.768  0.798  1.0
  O  O27  1  0.035  0.193  0.222  1.0
  O  O28  1  0.158  0.965  0.222  1.0
  O  O29  1  0.232  0.821  0.798  1.0
  O  O30  1  0.412  0.232  0.298  1.0
  O  O31  1  0.438  0.069  0.050  1.0
  O  O32  1  0.193  0.158  0.722  1.0
  O  O33  1  0.069  0.630  0.550  1.0
  O  O34  1  0.821  0.588  0.298  1.0
  O  O35  1  0.965  0.807  0.722  1.0
[/CIF]
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The crystal structure described by Pb5As3O9Cl crystallizes in the hexagonal P6_3 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one Cl(1) atom. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to three equivalent O(2), three equivalent O(3), and one Cl(1) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one As(1) atom. Cl(1) is bonded in a trigonal pyramidal geometry to one Pb(2) and three equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_As3Pb5ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.793
_cell_length_b   10.793
_cell_length_c   7.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   743.328
_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  0.696  0.650  0.265  1.0
  As  As1  1  0.350  0.046  0.265  1.0
  As  As2  1  0.954  0.304  0.265  1.0
  As  As3  1  0.304  0.350  0.765  1.0
  As  As4  1  0.046  0.696  0.765  1.0
  As  As5  1  0.650  0.954  0.765  1.0
  Pb  Pb6  1  0.312  0.375  0.250  1.0
  Pb  Pb7  1  0.938  0.312  0.750  1.0
  Pb  Pb8  1  0.375  0.062  0.750  1.0
  Pb  Pb9  1  0.625  0.938  0.250  1.0
  Pb  Pb10  1  0.333  0.667  0.640  1.0
  Pb  Pb11  1  0.062  0.688  0.250  1.0
  Pb  Pb12  1  0.667  0.333  0.140  1.0
  Pb  Pb13  1  0.688  0.625  0.750  1.0
  Pb  Pb14  1  0.000  0.000  0.020  1.0
  Pb  Pb15  1  0.000  0.000  0.520  1.0
  Cl  Cl16  1  0.667  0.333  0.744  1.0
  Cl  Cl17  1  0.333  0.667  0.244  1.0
  O  O18  1  0.807  0.842  0.222  1.0
  O  O19  1  0.842  0.035  0.722  1.0
  O  O20  1  0.562  0.931  0.550  1.0
  O  O21  1  0.630  0.562  0.050  1.0
  O  O22  1  0.931  0.370  0.050  1.0
  O  O23  1  0.179  0.412  0.798  1.0
  O  O24  1  0.370  0.438  0.550  1.0
  O  O25  1  0.768  0.179  0.298  1.0
  O  O26  1  0.588  0.768  0.798  1.0
  O  O27  1  0.035  0.193  0.222  1.0
  O  O28  1  0.158  0.965  0.222  1.0
  O  O29  1  0.232  0.821  0.798  1.0
  O  O30  1  0.412  0.232  0.298  1.0
  O  O31  1  0.438  0.069  0.050  1.0
  O  O32  1  0.193  0.158  0.722  1.0
  O  O33  1  0.069  0.630  0.550  1.0
  O  O34  1  0.821  0.588  0.298  1.0
  O  O35  1  0.965  0.807  0.722  1.0
[/CIF]
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