The material described by Fe2AlBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-70°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the third Fe site, Fe(3) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Al(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. Al(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-60°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one Al(1), and one B(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(2), one Al(1), and one B(1) atom. In the third O site, O(2) is bonded to one Fe(1), one Fe(2), and two equivalent Al(1) atoms to form OAl2Fe2 tetrahedra that share corners with three equivalent O(4)Al2Fe3 square pyramids, corners with three equivalent O(2)Al2Fe2 tetrahedra, and  an edgeedge with one O(4)Al2Fe3 square pyramid. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(1), and one B(1) atom. In the fifth O site, O(4) is bonded to one Fe(1), two equivalent Fe(3), and two equivalent Al(1) atoms to form OAl2Fe3 square pyramids that share corners with two equivalent O(4)Al2Fe3 square pyramids, corners with three equivalent O(2)Al2Fe2 tetrahedra, edges with three equivalent O(4)Al2Fe3 square pyramids, and  an edgeedge with one O(2)Al2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_AlFe2BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.965
_cell_length_b   9.669
_cell_length_c   12.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.939
_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  0.742  0.384  1.0
  Al  Al1  1  0.000  0.258  0.616  1.0
  Al  Al2  1  0.000  0.242  0.116  1.0
  Al  Al3  1  0.000  0.758  0.884  1.0
  Fe  Fe4  1  0.500  0.496  0.226  1.0
  Fe  Fe5  1  0.500  0.504  0.774  1.0
  Fe  Fe6  1  0.500  0.996  0.274  1.0
  Fe  Fe7  1  0.500  0.004  0.726  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.500  0.000  0.000  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  B  B12  1  0.000  0.763  0.137  1.0
  B  B13  1  0.000  0.237  0.863  1.0
  B  B14  1  0.000  0.263  0.363  1.0
  B  B15  1  0.000  0.737  0.637  1.0
  O  O16  1  0.000  0.836  0.039  1.0
  O  O17  1  0.000  0.164  0.961  1.0
  O  O18  1  0.000  0.336  0.461  1.0
  O  O19  1  0.000  0.664  0.539  1.0
  O  O20  1  0.500  0.619  0.358  1.0
  O  O21  1  0.500  0.381  0.642  1.0
  O  O22  1  0.500  0.119  0.142  1.0
  O  O23  1  0.500  0.881  0.858  1.0
  O  O24  1  0.000  0.620  0.137  1.0
  O  O25  1  0.000  0.380  0.863  1.0
  O  O26  1  0.000  0.120  0.363  1.0
  O  O27  1  0.000  0.880  0.637  1.0
  O  O28  1  0.500  0.869  0.415  1.0
  O  O29  1  0.500  0.131  0.585  1.0
  O  O30  1  0.500  0.369  0.085  1.0
  O  O31  1  0.500  0.631  0.915  1.0
  O  O32  1  0.000  0.831  0.236  1.0
  O  O33  1  0.000  0.169  0.764  1.0
  O  O34  1  0.000  0.331  0.264  1.0
  O  O35  1  0.000  0.669  0.736  1.0
[/CIF]
.
The material described by Fe2AlBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-70°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the third Fe site, Fe(3) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Al(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. Al(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-60°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one Al(1), and one B(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(2), one Al(1), and one B(1) atom. In the third O site, O(2) is bonded to one Fe(1), one Fe(2), and two equivalent Al(1) atoms to form OAl2Fe2 tetrahedra that share corners with three equivalent O(4)Al2Fe3 square pyramids, corners with three equivalent O(2)Al2Fe2 tetrahedra, and  an edgeedge with one O(4)Al2Fe3 square pyramid. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(1), and one B(1) atom. In the fifth O site, O(4) is bonded to one Fe(1), two equivalent Fe(3), and two equivalent Al(1) atoms to form OAl2Fe3 square pyramids that share corners with two equivalent O(4)Al2Fe3 square pyramids, corners with three equivalent O(2)Al2Fe2 tetrahedra, edges with three equivalent O(4)Al2Fe3 square pyramids, and  an edgeedge with one O(2)Al2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_AlFe2BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.965
_cell_length_b   9.669
_cell_length_c   12.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.939
_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  0.742  0.384  1.0
  Al  Al1  1  0.000  0.258  0.616  1.0
  Al  Al2  1  0.000  0.242  0.116  1.0
  Al  Al3  1  0.000  0.758  0.884  1.0
  Fe  Fe4  1  0.500  0.496  0.226  1.0
  Fe  Fe5  1  0.500  0.504  0.774  1.0
  Fe  Fe6  1  0.500  0.996  0.274  1.0
  Fe  Fe7  1  0.500  0.004  0.726  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.500  0.000  0.000  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  B  B12  1  0.000  0.763  0.137  1.0
  B  B13  1  0.000  0.237  0.863  1.0
  B  B14  1  0.000  0.263  0.363  1.0
  B  B15  1  0.000  0.737  0.637  1.0
  O  O16  1  0.000  0.836  0.039  1.0
  O  O17  1  0.000  0.164  0.961  1.0
  O  O18  1  0.000  0.336  0.461  1.0
  O  O19  1  0.000  0.664  0.539  1.0
  O  O20  1  0.500  0.619  0.358  1.0
  O  O21  1  0.500  0.381  0.642  1.0
  O  O22  1  0.500  0.119  0.142  1.0
  O  O23  1  0.500  0.881  0.858  1.0
  O  O24  1  0.000  0.620  0.137  1.0
  O  O25  1  0.000  0.380  0.863  1.0
  O  O26  1  0.000  0.120  0.363  1.0
  O  O27  1  0.000  0.880  0.637  1.0
  O  O28  1  0.500  0.869  0.415  1.0
  O  O29  1  0.500  0.131  0.585  1.0
  O  O30  1  0.500  0.369  0.085  1.0
  O  O31  1  0.500  0.631  0.915  1.0
  O  O32  1  0.000  0.831  0.236  1.0
  O  O33  1  0.000  0.169  0.764  1.0
  O  O34  1  0.000  0.331  0.264  1.0
  O  O35  1  0.000  0.669  0.736  1.0
[/CIF]
.