The material described by AlPb3SO11 crystallizes in the trigonal R3c space group. Al(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. Pb(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to one O(4) and three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Al(1) and two equivalent Pb(1) atoms. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the third O site, O(4) is bonded in a single-bond geometry to three equivalent Pb(1) and one S(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Al(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_AlPb3SO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.325
_cell_length_b   10.325
_cell_length_c   10.325
_cell_angle_alpha   42.062
_cell_angle_beta   42.062
_cell_angle_gamma   42.062
_symmetry_Int_Tables_number   1
_cell_volume   446.927
_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
  Al  Al0  1  0.433  0.433  0.433  1.0
  Al  Al1  1  0.933  0.933  0.933  1.0
  Pb  Pb2  1  0.650  0.240  0.147  1.0
  Pb  Pb3  1  0.147  0.650  0.240  1.0
  Pb  Pb4  1  0.240  0.147  0.650  1.0
  Pb  Pb5  1  0.647  0.740  0.150  1.0
  Pb  Pb6  1  0.150  0.647  0.740  1.0
  Pb  Pb7  1  0.740  0.150  0.647  1.0
  S  S8  1  0.118  0.118  0.118  1.0
  S  S9  1  0.618  0.618  0.618  1.0
  O  O10  1  0.493  0.541  0.149  1.0
  O  O11  1  0.149  0.493  0.541  1.0
  O  O12  1  0.541  0.149  0.493  1.0
  O  O13  1  0.649  0.041  0.993  1.0
  O  O14  1  0.993  0.649  0.041  1.0
  O  O15  1  0.041  0.993  0.649  1.0
  O  O16  1  0.403  0.333  0.700  1.0
  O  O17  1  0.700  0.403  0.333  1.0
  O  O18  1  0.333  0.700  0.403  1.0
  O  O19  1  0.200  0.833  0.903  1.0
  O  O20  1  0.903  0.200  0.833  1.0
  O  O21  1  0.833  0.903  0.200  1.0
  O  O22  1  0.308  0.308  0.308  1.0
  O  O23  1  0.808  0.808  0.808  1.0
  O  O24  1  0.064  0.064  0.064  1.0
  O  O25  1  0.564  0.564  0.564  1.0
  O  O26  1  0.011  0.036  0.353  1.0
  O  O27  1  0.353  0.011  0.036  1.0
  O  O28  1  0.036  0.353  0.011  1.0
  O  O29  1  0.853  0.536  0.511  1.0
  O  O30  1  0.511  0.853  0.536  1.0
  O  O31  1  0.536  0.511  0.853  1.0
[/CIF]
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The material described by AlPb3SO11 crystallizes in the trigonal R3c space group. Al(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. Pb(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to one O(4) and three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Al(1) and two equivalent Pb(1) atoms. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the third O site, O(4) is bonded in a single-bond geometry to three equivalent Pb(1) and one S(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Al(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_AlPb3SO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.325
_cell_length_b   10.325
_cell_length_c   10.325
_cell_angle_alpha   42.062
_cell_angle_beta   42.062
_cell_angle_gamma   42.062
_symmetry_Int_Tables_number   1
_cell_volume   446.927
_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
  Al  Al0  1  0.433  0.433  0.433  1.0
  Al  Al1  1  0.933  0.933  0.933  1.0
  Pb  Pb2  1  0.650  0.240  0.147  1.0
  Pb  Pb3  1  0.147  0.650  0.240  1.0
  Pb  Pb4  1  0.240  0.147  0.650  1.0
  Pb  Pb5  1  0.647  0.740  0.150  1.0
  Pb  Pb6  1  0.150  0.647  0.740  1.0
  Pb  Pb7  1  0.740  0.150  0.647  1.0
  S  S8  1  0.118  0.118  0.118  1.0
  S  S9  1  0.618  0.618  0.618  1.0
  O  O10  1  0.493  0.541  0.149  1.0
  O  O11  1  0.149  0.493  0.541  1.0
  O  O12  1  0.541  0.149  0.493  1.0
  O  O13  1  0.649  0.041  0.993  1.0
  O  O14  1  0.993  0.649  0.041  1.0
  O  O15  1  0.041  0.993  0.649  1.0
  O  O16  1  0.403  0.333  0.700  1.0
  O  O17  1  0.700  0.403  0.333  1.0
  O  O18  1  0.333  0.700  0.403  1.0
  O  O19  1  0.200  0.833  0.903  1.0
  O  O20  1  0.903  0.200  0.833  1.0
  O  O21  1  0.833  0.903  0.200  1.0
  O  O22  1  0.308  0.308  0.308  1.0
  O  O23  1  0.808  0.808  0.808  1.0
  O  O24  1  0.064  0.064  0.064  1.0
  O  O25  1  0.564  0.564  0.564  1.0
  O  O26  1  0.011  0.036  0.353  1.0
  O  O27  1  0.353  0.011  0.036  1.0
  O  O28  1  0.036  0.353  0.011  1.0
  O  O29  1  0.853  0.536  0.511  1.0
  O  O30  1  0.511  0.853  0.536  1.0
  O  O31  1  0.536  0.511  0.853  1.0
[/CIF]
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