The material described by AlFe2O4 crystallizes in the tetragonal I4_1/a space group. Fe(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.441
_cell_length_b   6.441
_cell_length_c   6.441
_cell_angle_alpha   131.184
_cell_angle_beta   131.184
_cell_angle_gamma   71.521
_symmetry_Int_Tables_number   1
_cell_volume   148.083
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.375  0.625  0.250  1.0
  Fe  Fe3  1  0.375  0.125  0.750  1.0
  Fe  Fe4  1  0.375  0.625  0.750  1.0
  Fe  Fe5  1  0.875  0.625  0.250  1.0
  O  O6  1  0.781  0.260  0.109  1.0
  O  O7  1  0.151  0.672  0.891  1.0
  O  O8  1  0.969  0.990  0.391  1.0
  O  O9  1  0.599  0.578  0.609  1.0
  O  O10  1  0.010  0.401  0.979  1.0
  O  O11  1  0.422  0.031  0.021  1.0
  O  O12  1  0.328  0.219  0.479  1.0
  O  O13  1  0.740  0.849  0.521  1.0
[/CIF]
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The material described by AlFe2O4 crystallizes in the tetragonal I4_1/a space group. Fe(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.441
_cell_length_b   6.441
_cell_length_c   6.441
_cell_angle_alpha   131.184
_cell_angle_beta   131.184
_cell_angle_gamma   71.521
_symmetry_Int_Tables_number   1
_cell_volume   148.083
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.375  0.625  0.250  1.0
  Fe  Fe3  1  0.375  0.125  0.750  1.0
  Fe  Fe4  1  0.375  0.625  0.750  1.0
  Fe  Fe5  1  0.875  0.625  0.250  1.0
  O  O6  1  0.781  0.260  0.109  1.0
  O  O7  1  0.151  0.672  0.891  1.0
  O  O8  1  0.969  0.990  0.391  1.0
  O  O9  1  0.599  0.578  0.609  1.0
  O  O10  1  0.010  0.401  0.979  1.0
  O  O11  1  0.422  0.031  0.021  1.0
  O  O12  1  0.328  0.219  0.479  1.0
  O  O13  1  0.740  0.849  0.521  1.0
[/CIF]
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