The compound described by Na3Pb2(SO4)3Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(9), and two equivalent Cl(1) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(4), two equivalent O(9), and two equivalent Cl(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(2) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(7), one O(8), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Pb(1), and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(2), one Pb(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), one Pb(1), one Pb(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Na(2), one Pb(2), and one S(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Pb(2), and one S(3) atom. Cl(1) is bonded to two equivalent Na(1), two equivalent Pb(1), and two equivalent Pb(2) atoms to form face-sharing ClNa2Pb4 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Pb2S3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.179
_cell_length_b   9.963
_cell_length_c   10.018
_cell_angle_alpha   60.182
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.662
_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
  Na  Na0  1  0.250  0.737  0.003  1.0
  Na  Na1  1  0.003  0.660  0.675  1.0
  Na  Na2  1  0.497  0.660  0.675  1.0
  Na  Na3  1  0.503  0.340  0.325  1.0
  Na  Na4  1  0.997  0.340  0.325  1.0
  Na  Na5  1  0.750  0.263  0.997  1.0
  Pb  Pb6  1  0.250  0.011  0.241  1.0
  Pb  Pb7  1  0.750  0.742  0.253  1.0
  Pb  Pb8  1  0.250  0.258  0.747  1.0
  Pb  Pb9  1  0.750  0.989  0.759  1.0
  S  S10  1  0.750  0.967  0.413  1.0
  S  S11  1  0.750  0.623  0.965  1.0
  S  S12  1  0.250  0.587  0.382  1.0
  S  S13  1  0.750  0.413  0.618  1.0
  S  S14  1  0.250  0.377  0.035  1.0
  S  S15  1  0.250  0.033  0.587  1.0
  Cl  Cl16  1  0.000  0.000  0.000  1.0
  Cl  Cl17  1  0.500  0.000  0.000  1.0
  O  O18  1  0.250  0.866  0.645  1.0
  O  O19  1  0.582  0.728  0.915  1.0
  O  O20  1  0.918  0.728  0.915  1.0
  O  O21  1  0.750  0.877  0.586  1.0
  O  O22  1  0.583  0.917  0.358  1.0
  O  O23  1  0.917  0.917  0.358  1.0
  O  O24  1  0.750  0.534  0.882  1.0
  O  O25  1  0.250  0.481  0.866  1.0
  O  O26  1  0.250  0.641  0.495  1.0
  O  O27  1  0.750  0.588  0.536  1.0
  O  O28  1  0.083  0.642  0.280  1.0
  O  O29  1  0.417  0.642  0.280  1.0
  O  O30  1  0.583  0.358  0.720  1.0
  O  O31  1  0.917  0.358  0.720  1.0
  O  O32  1  0.250  0.412  0.464  1.0
  O  O33  1  0.750  0.359  0.505  1.0
  O  O34  1  0.750  0.519  0.134  1.0
  O  O35  1  0.250  0.466  0.118  1.0
  O  O36  1  0.083  0.083  0.642  1.0
  O  O37  1  0.417  0.083  0.642  1.0
  O  O38  1  0.250  0.123  0.414  1.0
  O  O39  1  0.082  0.272  0.085  1.0
  O  O40  1  0.418  0.272  0.085  1.0
  O  O41  1  0.750  0.134  0.355  1.0
[/CIF]
.
The compound described by Na3Pb2(SO4)3Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(9), and two equivalent Cl(1) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(4), two equivalent O(9), and two equivalent Cl(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(2) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(7), one O(8), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Pb(1), and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(2), one Pb(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), one Pb(1), one Pb(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Na(2), one Pb(2), and one S(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Pb(2), and one S(3) atom. Cl(1) is bonded to two equivalent Na(1), two equivalent Pb(1), and two equivalent Pb(2) atoms to form face-sharing ClNa2Pb4 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Pb2S3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.179
_cell_length_b   9.963
_cell_length_c   10.018
_cell_angle_alpha   60.182
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.662
_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
  Na  Na0  1  0.250  0.737  0.003  1.0
  Na  Na1  1  0.003  0.660  0.675  1.0
  Na  Na2  1  0.497  0.660  0.675  1.0
  Na  Na3  1  0.503  0.340  0.325  1.0
  Na  Na4  1  0.997  0.340  0.325  1.0
  Na  Na5  1  0.750  0.263  0.997  1.0
  Pb  Pb6  1  0.250  0.011  0.241  1.0
  Pb  Pb7  1  0.750  0.742  0.253  1.0
  Pb  Pb8  1  0.250  0.258  0.747  1.0
  Pb  Pb9  1  0.750  0.989  0.759  1.0
  S  S10  1  0.750  0.967  0.413  1.0
  S  S11  1  0.750  0.623  0.965  1.0
  S  S12  1  0.250  0.587  0.382  1.0
  S  S13  1  0.750  0.413  0.618  1.0
  S  S14  1  0.250  0.377  0.035  1.0
  S  S15  1  0.250  0.033  0.587  1.0
  Cl  Cl16  1  0.000  0.000  0.000  1.0
  Cl  Cl17  1  0.500  0.000  0.000  1.0
  O  O18  1  0.250  0.866  0.645  1.0
  O  O19  1  0.582  0.728  0.915  1.0
  O  O20  1  0.918  0.728  0.915  1.0
  O  O21  1  0.750  0.877  0.586  1.0
  O  O22  1  0.583  0.917  0.358  1.0
  O  O23  1  0.917  0.917  0.358  1.0
  O  O24  1  0.750  0.534  0.882  1.0
  O  O25  1  0.250  0.481  0.866  1.0
  O  O26  1  0.250  0.641  0.495  1.0
  O  O27  1  0.750  0.588  0.536  1.0
  O  O28  1  0.083  0.642  0.280  1.0
  O  O29  1  0.417  0.642  0.280  1.0
  O  O30  1  0.583  0.358  0.720  1.0
  O  O31  1  0.917  0.358  0.720  1.0
  O  O32  1  0.250  0.412  0.464  1.0
  O  O33  1  0.750  0.359  0.505  1.0
  O  O34  1  0.750  0.519  0.134  1.0
  O  O35  1  0.250  0.466  0.118  1.0
  O  O36  1  0.083  0.083  0.642  1.0
  O  O37  1  0.417  0.083  0.642  1.0
  O  O38  1  0.250  0.123  0.414  1.0
  O  O39  1  0.082  0.272  0.085  1.0
  O  O40  1  0.418  0.272  0.085  1.0
  O  O41  1  0.750  0.134  0.355  1.0
[/CIF]
.