The structure described by PbAl2O4 crystallizes in the orthorhombic Ama2 space group. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing AlO4 tetrahedra. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Al2PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.080
_cell_length_b   5.270
_cell_length_c   8.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.819
_symmetry_Int_Tables_number   1
_cell_volume   198.433
_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  0.640  0.344  0.446  1.0
  Al  Al1  1  0.296  0.656  0.554  1.0
  Al  Al2  1  0.640  0.344  0.054  1.0
  Al  Al3  1  0.296  0.656  0.946  1.0
  Pb  Pb4  1  0.028  0.056  0.250  1.0
  Pb  Pb5  1  0.972  0.944  0.750  1.0
  O  O6  1  0.536  0.372  0.250  1.0
  O  O7  1  0.164  0.628  0.750  1.0
  O  O8  1  0.356  0.000  0.500  1.0
  O  O9  1  0.356  0.000  0.000  1.0
  O  O10  1  0.002  0.381  0.445  1.0
  O  O11  1  0.621  0.619  0.555  1.0
  O  O12  1  0.621  0.619  0.945  1.0
  O  O13  1  0.002  0.381  0.055  1.0
[/CIF]
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The structure described by PbAl2O4 crystallizes in the orthorhombic Ama2 space group. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing AlO4 tetrahedra. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Al2PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.080
_cell_length_b   5.270
_cell_length_c   8.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.819
_symmetry_Int_Tables_number   1
_cell_volume   198.433
_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  0.640  0.344  0.446  1.0
  Al  Al1  1  0.296  0.656  0.554  1.0
  Al  Al2  1  0.640  0.344  0.054  1.0
  Al  Al3  1  0.296  0.656  0.946  1.0
  Pb  Pb4  1  0.028  0.056  0.250  1.0
  Pb  Pb5  1  0.972  0.944  0.750  1.0
  O  O6  1  0.536  0.372  0.250  1.0
  O  O7  1  0.164  0.628  0.750  1.0
  O  O8  1  0.356  0.000  0.500  1.0
  O  O9  1  0.356  0.000  0.000  1.0
  O  O10  1  0.002  0.381  0.445  1.0
  O  O11  1  0.621  0.619  0.555  1.0
  O  O12  1  0.621  0.619  0.945  1.0
  O  O13  1  0.002  0.381  0.055  1.0
[/CIF]
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