The material described by LiFeAl2O6 is Corundum-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.921
_cell_length_b   4.921
_cell_length_c   5.322
_cell_angle_alpha   80.516
_cell_angle_beta   80.516
_cell_angle_gamma   120.212
_symmetry_Int_Tables_number   1
_cell_volume   105.124
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.668  0.332  0.000  1.0
  Al  Al2  1  0.332  0.668  0.000  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.924  0.599  0.196  1.0
  O  O5  1  0.735  0.735  0.805  1.0
  O  O6  1  0.401  0.076  0.804  1.0
  O  O7  1  0.599  0.924  0.196  1.0
  O  O8  1  0.265  0.265  0.195  1.0
  O  O9  1  0.076  0.401  0.804  1.0
[/CIF]
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The material described by LiFeAl2O6 is Corundum-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.921
_cell_length_b   4.921
_cell_length_c   5.322
_cell_angle_alpha   80.516
_cell_angle_beta   80.516
_cell_angle_gamma   120.212
_symmetry_Int_Tables_number   1
_cell_volume   105.124
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.668  0.332  0.000  1.0
  Al  Al2  1  0.332  0.668  0.000  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.924  0.599  0.196  1.0
  O  O5  1  0.735  0.735  0.805  1.0
  O  O6  1  0.401  0.076  0.804  1.0
  O  O7  1  0.599  0.924  0.196  1.0
  O  O8  1  0.265  0.265  0.195  1.0
  O  O9  1  0.076  0.401  0.804  1.0
[/CIF]
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