The material described by FeAl2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Al site, Al(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Al(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Fe(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.818
_cell_length_c   5.818
_cell_angle_alpha   90.535
_cell_angle_beta   119.358
_cell_angle_gamma   119.359
_symmetry_Int_Tables_number   1
_cell_volume   138.562
_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  0.750  0.615  0.885  1.0
  Al  Al1  1  0.250  0.385  0.115  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  1.000  1.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.508  0.240  0.776  1.0
  O  O7  1  0.992  0.724  0.260  1.0
  O  O8  1  0.008  0.276  0.740  1.0
  O  O9  1  0.492  0.760  0.224  1.0
  O  O10  1  0.015  0.742  0.758  1.0
  O  O11  1  0.485  0.742  0.758  1.0
  O  O12  1  0.515  0.258  0.242  1.0
  O  O13  1  0.985  0.258  0.242  1.0
[/CIF]
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The material described by FeAl2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Al site, Al(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Al(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Fe(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.818
_cell_length_c   5.818
_cell_angle_alpha   90.535
_cell_angle_beta   119.358
_cell_angle_gamma   119.359
_symmetry_Int_Tables_number   1
_cell_volume   138.562
_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  0.750  0.615  0.885  1.0
  Al  Al1  1  0.250  0.385  0.115  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  1.000  1.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.508  0.240  0.776  1.0
  O  O7  1  0.992  0.724  0.260  1.0
  O  O8  1  0.008  0.276  0.740  1.0
  O  O9  1  0.492  0.760  0.224  1.0
  O  O10  1  0.015  0.742  0.758  1.0
  O  O11  1  0.485  0.742  0.758  1.0
  O  O12  1  0.515  0.258  0.242  1.0
  O  O13  1  0.985  0.258  0.242  1.0
[/CIF]
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