The crystal structure described by PbSO4 crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(1) atoms. S(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 S(1) atom. In the second O site, O(2) is bonded in a 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) and one S(1) atom. is represented by the CIF file [CIF]
data_PbSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.567
_cell_length_c   12.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.341
_cell_formula_units_Z   4
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  0.250  0.405  0.627  1.0
  Pb  Pb1  1  0.250  0.095  0.127  1.0
  Pb  Pb2  1  0.750  0.595  0.373  1.0
  Pb  Pb3  1  0.750  0.905  0.873  1.0
  S  S4  1  0.250  0.272  0.879  1.0
  S  S5  1  0.750  0.728  0.121  1.0
  S  S6  1  0.250  0.228  0.379  1.0
  S  S7  1  0.750  0.772  0.621  1.0
  O  O8  1  0.023  0.264  0.447  1.0
  O  O9  1  0.250  0.513  0.832  1.0
  O  O10  1  0.523  0.764  0.053  1.0
  O  O11  1  0.750  0.013  0.668  1.0
  O  O12  1  0.250  0.417  0.296  1.0
  O  O13  1  0.250  0.987  0.332  1.0
  O  O14  1  0.523  0.736  0.553  1.0
  O  O15  1  0.477  0.264  0.447  1.0
  O  O16  1  0.750  0.917  0.204  1.0
  O  O17  1  0.977  0.736  0.553  1.0
  O  O18  1  0.250  0.083  0.796  1.0
  O  O19  1  0.023  0.236  0.947  1.0
  O  O20  1  0.977  0.764  0.053  1.0
  O  O21  1  0.750  0.583  0.704  1.0
  O  O22  1  0.750  0.487  0.168  1.0
  O  O23  1  0.477  0.236  0.947  1.0
[/CIF]
.
The crystal structure described by PbSO4 crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(1) atoms. S(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 S(1) atom. In the second O site, O(2) is bonded in a 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) and one S(1) atom. is represented by the CIF file [CIF]
data_PbSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.567
_cell_length_c   12.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.341
_cell_formula_units_Z   4
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  0.250  0.405  0.627  1.0
  Pb  Pb1  1  0.250  0.095  0.127  1.0
  Pb  Pb2  1  0.750  0.595  0.373  1.0
  Pb  Pb3  1  0.750  0.905  0.873  1.0
  S  S4  1  0.250  0.272  0.879  1.0
  S  S5  1  0.750  0.728  0.121  1.0
  S  S6  1  0.250  0.228  0.379  1.0
  S  S7  1  0.750  0.772  0.621  1.0
  O  O8  1  0.023  0.264  0.447  1.0
  O  O9  1  0.250  0.513  0.832  1.0
  O  O10  1  0.523  0.764  0.053  1.0
  O  O11  1  0.750  0.013  0.668  1.0
  O  O12  1  0.250  0.417  0.296  1.0
  O  O13  1  0.250  0.987  0.332  1.0
  O  O14  1  0.523  0.736  0.553  1.0
  O  O15  1  0.477  0.264  0.447  1.0
  O  O16  1  0.750  0.917  0.204  1.0
  O  O17  1  0.977  0.736  0.553  1.0
  O  O18  1  0.250  0.083  0.796  1.0
  O  O19  1  0.023  0.236  0.947  1.0
  O  O20  1  0.977  0.764  0.053  1.0
  O  O21  1  0.750  0.583  0.704  1.0
  O  O22  1  0.750  0.487  0.168  1.0
  O  O23  1  0.477  0.236  0.947  1.0
[/CIF]
.