The crystal structure described by PbAlBO4 crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing AlO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Pb(1) atom. In the second O site, O(2) is bonded to two equivalent Al(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OAl2Pb2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one B(1) atom. is represented by the CIF file [CIF]
data_AlBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.738
_cell_length_b   6.965
_cell_length_c   8.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.557
_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
  Al  Al0  1  0.000  0.500  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  B  B4  1  0.750  0.728  0.242  1.0
  B  B5  1  0.750  0.228  0.258  1.0
  B  B6  1  0.250  0.772  0.742  1.0
  B  B7  1  0.250  0.272  0.758  1.0
  Pb  Pb8  1  0.250  0.064  0.364  1.0
  Pb  Pb9  1  0.250  0.564  0.136  1.0
  Pb  Pb10  1  0.750  0.936  0.636  1.0
  Pb  Pb11  1  0.750  0.436  0.864  1.0
  O  O12  1  0.956  0.172  0.185  1.0
  O  O13  1  0.956  0.672  0.315  1.0
  O  O14  1  0.456  0.328  0.685  1.0
  O  O15  1  0.750  0.100  0.889  1.0
  O  O16  1  0.044  0.328  0.685  1.0
  O  O17  1  0.250  0.900  0.111  1.0
  O  O18  1  0.750  0.335  0.402  1.0
  O  O19  1  0.250  0.165  0.902  1.0
  O  O20  1  0.544  0.172  0.185  1.0
  O  O21  1  0.044  0.828  0.815  1.0
  O  O22  1  0.250  0.665  0.598  1.0
  O  O23  1  0.750  0.600  0.611  1.0
  O  O24  1  0.544  0.672  0.315  1.0
  O  O25  1  0.750  0.835  0.098  1.0
  O  O26  1  0.250  0.400  0.389  1.0
  O  O27  1  0.456  0.828  0.815  1.0
[/CIF]
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The crystal structure described by PbAlBO4 crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing AlO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Pb(1) atom. In the second O site, O(2) is bonded to two equivalent Al(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OAl2Pb2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one B(1) atom. is represented by the CIF file [CIF]
data_AlBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.738
_cell_length_b   6.965
_cell_length_c   8.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.557
_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
  Al  Al0  1  0.000  0.500  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  B  B4  1  0.750  0.728  0.242  1.0
  B  B5  1  0.750  0.228  0.258  1.0
  B  B6  1  0.250  0.772  0.742  1.0
  B  B7  1  0.250  0.272  0.758  1.0
  Pb  Pb8  1  0.250  0.064  0.364  1.0
  Pb  Pb9  1  0.250  0.564  0.136  1.0
  Pb  Pb10  1  0.750  0.936  0.636  1.0
  Pb  Pb11  1  0.750  0.436  0.864  1.0
  O  O12  1  0.956  0.172  0.185  1.0
  O  O13  1  0.956  0.672  0.315  1.0
  O  O14  1  0.456  0.328  0.685  1.0
  O  O15  1  0.750  0.100  0.889  1.0
  O  O16  1  0.044  0.328  0.685  1.0
  O  O17  1  0.250  0.900  0.111  1.0
  O  O18  1  0.750  0.335  0.402  1.0
  O  O19  1  0.250  0.165  0.902  1.0
  O  O20  1  0.544  0.172  0.185  1.0
  O  O21  1  0.044  0.828  0.815  1.0
  O  O22  1  0.250  0.665  0.598  1.0
  O  O23  1  0.750  0.600  0.611  1.0
  O  O24  1  0.544  0.672  0.315  1.0
  O  O25  1  0.750  0.835  0.098  1.0
  O  O26  1  0.250  0.400  0.389  1.0
  O  O27  1  0.456  0.828  0.815  1.0
[/CIF]
.