The material described by Fe3Al2(BiO4)3 crystallizes in the triclinic P1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(12), one O(3), and one O(6) atom. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(4), one O(5), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Al(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(2), one Al(2), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(3), one Al(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(2), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(2), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(3), one Al(1), one Al(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(2), one Al(2), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Bi(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Fe(2), one Al(1), one Al(2), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Fe(2), one Bi(1), one Bi(2), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Fe(3), one Al(1), one Al(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Al2Fe3(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.360
_cell_length_b   5.579
_cell_length_c   9.521
_cell_angle_alpha   106.931
_cell_angle_beta   90.157
_cell_angle_gamma   118.253
_symmetry_Int_Tables_number   1
_cell_volume   236.566
_cell_formula_units_Z   1
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  0.460  0.445  0.493  1.0
  Al  Al1  1  0.922  0.234  0.633  1.0
  Fe  Fe2  1  0.429  0.685  0.154  1.0
  Fe  Fe3  1  0.672  0.467  0.875  1.0
  Fe  Fe4  1  0.159  0.913  0.405  1.0
  Bi  Bi5  1  0.775  0.264  0.257  1.0
  Bi  Bi6  1  0.274  0.788  0.756  1.0
  Bi  Bi7  1  0.023  0.031  0.001  1.0
  O  O8  1  0.394  0.333  0.291  1.0
  O  O9  1  0.909  0.900  0.775  1.0
  O  O10  1  0.052  0.188  0.483  1.0
  O  O11  1  0.532  0.643  0.978  1.0
  O  O12  1  0.026  0.590  0.059  1.0
  O  O13  1  0.517  0.103  0.563  1.0
  O  O14  1  0.384  0.754  0.357  1.0
  O  O15  1  0.898  0.349  0.801  1.0
  O  O16  1  0.854  0.896  0.232  1.0
  O  O17  1  0.369  0.451  0.687  1.0
  O  O18  1  0.498  0.106  0.021  1.0
  O  O19  1  0.892  0.591  0.526  1.0
[/CIF]
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The material described by Fe3Al2(BiO4)3 crystallizes in the triclinic P1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(12), one O(3), and one O(6) atom. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(4), one O(5), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Al(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(2), one Al(2), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(3), one Al(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(2), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(2), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(3), one Al(1), one Al(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(2), one Al(2), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Bi(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Fe(2), one Al(1), one Al(2), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Fe(2), one Bi(1), one Bi(2), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Fe(3), one Al(1), one Al(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Al2Fe3(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.360
_cell_length_b   5.579
_cell_length_c   9.521
_cell_angle_alpha   106.931
_cell_angle_beta   90.157
_cell_angle_gamma   118.253
_symmetry_Int_Tables_number   1
_cell_volume   236.566
_cell_formula_units_Z   1
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  0.460  0.445  0.493  1.0
  Al  Al1  1  0.922  0.234  0.633  1.0
  Fe  Fe2  1  0.429  0.685  0.154  1.0
  Fe  Fe3  1  0.672  0.467  0.875  1.0
  Fe  Fe4  1  0.159  0.913  0.405  1.0
  Bi  Bi5  1  0.775  0.264  0.257  1.0
  Bi  Bi6  1  0.274  0.788  0.756  1.0
  Bi  Bi7  1  0.023  0.031  0.001  1.0
  O  O8  1  0.394  0.333  0.291  1.0
  O  O9  1  0.909  0.900  0.775  1.0
  O  O10  1  0.052  0.188  0.483  1.0
  O  O11  1  0.532  0.643  0.978  1.0
  O  O12  1  0.026  0.590  0.059  1.0
  O  O13  1  0.517  0.103  0.563  1.0
  O  O14  1  0.384  0.754  0.357  1.0
  O  O15  1  0.898  0.349  0.801  1.0
  O  O16  1  0.854  0.896  0.232  1.0
  O  O17  1  0.369  0.451  0.687  1.0
  O  O18  1  0.498  0.106  0.021  1.0
  O  O19  1  0.892  0.591  0.526  1.0
[/CIF]
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