The material structure described by Pb2(SO4)O crystallizes in the monoclinic C2/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(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Pb(1), one Pb(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one S(1) atom. is represented by the CIF card [CIF]
data_Pb2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   7.070
_cell_length_c   7.453
_cell_angle_alpha   113.301
_cell_angle_beta   112.463
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.627
_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
  Pb  Pb0  1  0.526  0.273  0.052  1.0
  Pb  Pb1  1  0.474  0.727  0.948  1.0
  Pb  Pb2  1  0.146  0.104  0.293  1.0
  Pb  Pb3  1  0.854  0.896  0.707  1.0
  S  S4  1  0.831  0.345  0.663  1.0
  S  S5  1  0.169  0.655  0.337  1.0
  O  O6  1  0.747  0.000  0.000  1.0
  O  O7  1  0.253  0.000  0.000  1.0
  O  O8  1  0.715  0.292  0.430  1.0
  O  O9  1  0.285  0.708  0.570  1.0
  O  O10  1  0.931  0.747  0.286  1.0
  O  O11  1  0.645  0.253  0.714  1.0
  O  O12  1  0.895  0.575  0.790  1.0
  O  O13  1  0.105  0.425  0.210  1.0
  O  O14  1  0.355  0.747  0.286  1.0
  O  O15  1  0.069  0.253  0.714  1.0
[/CIF]
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The material structure described by Pb2(SO4)O crystallizes in the monoclinic C2/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(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Pb(1), one Pb(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one S(1) atom. is represented by the CIF card [CIF]
data_Pb2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   7.070
_cell_length_c   7.453
_cell_angle_alpha   113.301
_cell_angle_beta   112.463
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.627
_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
  Pb  Pb0  1  0.526  0.273  0.052  1.0
  Pb  Pb1  1  0.474  0.727  0.948  1.0
  Pb  Pb2  1  0.146  0.104  0.293  1.0
  Pb  Pb3  1  0.854  0.896  0.707  1.0
  S  S4  1  0.831  0.345  0.663  1.0
  S  S5  1  0.169  0.655  0.337  1.0
  O  O6  1  0.747  0.000  0.000  1.0
  O  O7  1  0.253  0.000  0.000  1.0
  O  O8  1  0.715  0.292  0.430  1.0
  O  O9  1  0.285  0.708  0.570  1.0
  O  O10  1  0.931  0.747  0.286  1.0
  O  O11  1  0.645  0.253  0.714  1.0
  O  O12  1  0.895  0.575  0.790  1.0
  O  O13  1  0.105  0.425  0.210  1.0
  O  O14  1  0.355  0.747  0.286  1.0
  O  O15  1  0.069  0.253  0.714  1.0
[/CIF]
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