The compound described by FeAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Pb(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one B(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded to one Fe(1), one Al(1), and two equivalent Pb(1) atoms to form distorted corner-sharing OAlFePb2 tetrahedra. is represented by the CIF file [CIF]
data_AlFeB2(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.954
_cell_length_b   7.115
_cell_length_c   8.311
_cell_angle_alpha   89.999
_cell_angle_beta   90.873
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   352.060
_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  1.000  0.500  0.500  1.0
  Al  Al1  1  0.500  0.000  1.000  1.0
  Fe  Fe2  1  0.000  0.000  1.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  B  B4  1  0.247  0.774  0.739  1.0
  B  B5  1  0.253  0.274  0.761  1.0
  B  B6  1  0.753  0.226  0.261  1.0
  B  B7  1  0.747  0.726  0.239  1.0
  Pb  Pb8  1  0.245  0.568  0.143  1.0
  Pb  Pb9  1  0.255  0.068  0.357  1.0
  Pb  Pb10  1  0.755  0.432  0.857  1.0
  Pb  Pb11  1  0.745  0.932  0.643  1.0
  O  O12  1  0.241  0.672  0.597  1.0
  O  O13  1  0.259  0.172  0.903  1.0
  O  O14  1  0.759  0.328  0.403  1.0
  O  O15  1  0.741  0.828  0.097  1.0
  O  O16  1  0.045  0.826  0.809  1.0
  O  O17  1  0.455  0.326  0.691  1.0
  O  O18  1  0.955  0.174  0.191  1.0
  O  O19  1  0.545  0.674  0.309  1.0
  O  O20  1  0.551  0.173  0.187  1.0
  O  O21  1  0.949  0.673  0.313  1.0
  O  O22  1  0.449  0.827  0.813  1.0
  O  O23  1  0.051  0.327  0.687  1.0
  O  O24  1  0.264  0.901  0.113  1.0
  O  O25  1  0.236  0.401  0.387  1.0
  O  O26  1  0.736  0.099  0.887  1.0
  O  O27  1  0.764  0.599  0.613  1.0
[/CIF]
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The compound described by FeAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Pb(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one B(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded to one Fe(1), one Al(1), and two equivalent Pb(1) atoms to form distorted corner-sharing OAlFePb2 tetrahedra. is represented by the CIF file [CIF]
data_AlFeB2(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.954
_cell_length_b   7.115
_cell_length_c   8.311
_cell_angle_alpha   89.999
_cell_angle_beta   90.873
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   352.060
_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  1.000  0.500  0.500  1.0
  Al  Al1  1  0.500  0.000  1.000  1.0
  Fe  Fe2  1  0.000  0.000  1.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  B  B4  1  0.247  0.774  0.739  1.0
  B  B5  1  0.253  0.274  0.761  1.0
  B  B6  1  0.753  0.226  0.261  1.0
  B  B7  1  0.747  0.726  0.239  1.0
  Pb  Pb8  1  0.245  0.568  0.143  1.0
  Pb  Pb9  1  0.255  0.068  0.357  1.0
  Pb  Pb10  1  0.755  0.432  0.857  1.0
  Pb  Pb11  1  0.745  0.932  0.643  1.0
  O  O12  1  0.241  0.672  0.597  1.0
  O  O13  1  0.259  0.172  0.903  1.0
  O  O14  1  0.759  0.328  0.403  1.0
  O  O15  1  0.741  0.828  0.097  1.0
  O  O16  1  0.045  0.826  0.809  1.0
  O  O17  1  0.455  0.326  0.691  1.0
  O  O18  1  0.955  0.174  0.191  1.0
  O  O19  1  0.545  0.674  0.309  1.0
  O  O20  1  0.551  0.173  0.187  1.0
  O  O21  1  0.949  0.673  0.313  1.0
  O  O22  1  0.449  0.827  0.813  1.0
  O  O23  1  0.051  0.327  0.687  1.0
  O  O24  1  0.264  0.901  0.113  1.0
  O  O25  1  0.236  0.401  0.387  1.0
  O  O26  1  0.736  0.099  0.887  1.0
  O  O27  1  0.764  0.599  0.613  1.0
[/CIF]
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