The compound described by BaPb(SO4)2 crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(4), two equivalent O(6), and four equivalent O(2) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(4), one O(6), and four equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(6), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), two equivalent Pb(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Ba(1), one Pb(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to two equivalent Ba(1), one Pb(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPb(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   7.157
_cell_length_c   8.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.219
_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
  Ba  Ba0  1  0.500  0.411  0.316  1.0
  Ba  Ba1  1  0.500  0.589  0.816  1.0
  Pb  Pb2  1  0.000  0.084  0.688  1.0
  Pb  Pb3  1  0.000  0.916  0.188  1.0
  S  S4  1  0.500  0.062  0.936  1.0
  S  S5  1  0.500  0.938  0.436  1.0
  S  S6  1  0.000  0.438  0.064  1.0
  S  S7  1  0.000  0.562  0.564  1.0
  O  O8  1  0.723  0.940  0.920  1.0
  O  O9  1  0.277  0.060  0.420  1.0
  O  O10  1  0.219  0.561  0.080  1.0
  O  O11  1  0.781  0.439  0.580  1.0
  O  O12  1  0.781  0.561  0.080  1.0
  O  O13  1  0.219  0.439  0.580  1.0
  O  O14  1  0.277  0.940  0.920  1.0
  O  O15  1  0.723  0.060  0.420  1.0
  O  O16  1  0.500  0.200  0.808  1.0
  O  O17  1  0.500  0.800  0.308  1.0
  O  O18  1  0.000  0.296  0.190  1.0
  O  O19  1  0.000  0.704  0.690  1.0
  O  O20  1  0.500  0.151  0.087  1.0
  O  O21  1  0.500  0.849  0.587  1.0
  O  O22  1  0.000  0.349  0.911  1.0
  O  O23  1  0.000  0.651  0.411  1.0
[/CIF]
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The compound described by BaPb(SO4)2 crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(4), two equivalent O(6), and four equivalent O(2) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(4), one O(6), and four equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(6), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), two equivalent Pb(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Ba(1), one Pb(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to two equivalent Ba(1), one Pb(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPb(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   7.157
_cell_length_c   8.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.219
_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
  Ba  Ba0  1  0.500  0.411  0.316  1.0
  Ba  Ba1  1  0.500  0.589  0.816  1.0
  Pb  Pb2  1  0.000  0.084  0.688  1.0
  Pb  Pb3  1  0.000  0.916  0.188  1.0
  S  S4  1  0.500  0.062  0.936  1.0
  S  S5  1  0.500  0.938  0.436  1.0
  S  S6  1  0.000  0.438  0.064  1.0
  S  S7  1  0.000  0.562  0.564  1.0
  O  O8  1  0.723  0.940  0.920  1.0
  O  O9  1  0.277  0.060  0.420  1.0
  O  O10  1  0.219  0.561  0.080  1.0
  O  O11  1  0.781  0.439  0.580  1.0
  O  O12  1  0.781  0.561  0.080  1.0
  O  O13  1  0.219  0.439  0.580  1.0
  O  O14  1  0.277  0.940  0.920  1.0
  O  O15  1  0.723  0.060  0.420  1.0
  O  O16  1  0.500  0.200  0.808  1.0
  O  O17  1  0.500  0.800  0.308  1.0
  O  O18  1  0.000  0.296  0.190  1.0
  O  O19  1  0.000  0.704  0.690  1.0
  O  O20  1  0.500  0.151  0.087  1.0
  O  O21  1  0.500  0.849  0.587  1.0
  O  O22  1  0.000  0.349  0.911  1.0
  O  O23  1  0.000  0.651  0.411  1.0
[/CIF]
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