The material described by Al5O8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. In the second Al site, Al(2) is bonded to four equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Al(1) atoms. In the second O site, O(1) is bonded to one Al(2) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl4 trigonal pyramids. is represented by the CIF file [CIF]
data_Al5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.650
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   127.502
_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  0.616  0.128  0.128  1.0
  Al  Al1  1  0.128  0.616  0.128  1.0
  Al  Al2  1  0.128  0.128  0.616  1.0
  Al  Al3  1  0.128  0.128  0.128  1.0
  Al  Al4  1  0.750  0.750  0.750  1.0
  O  O5  1  0.351  0.883  0.883  1.0
  O  O6  1  0.883  0.351  0.883  1.0
  O  O7  1  0.883  0.883  0.351  1.0
  O  O8  1  0.883  0.883  0.883  1.0
  O  O9  1  0.915  0.362  0.362  1.0
  O  O10  1  0.362  0.915  0.362  1.0
  O  O11  1  0.362  0.362  0.915  1.0
  O  O12  1  0.362  0.362  0.362  1.0
[/CIF]
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The material described by Al5O8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. In the second Al site, Al(2) is bonded to four equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Al(1) atoms. In the second O site, O(1) is bonded to one Al(2) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl4 trigonal pyramids. is represented by the CIF file [CIF]
data_Al5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.650
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   127.502
_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  0.616  0.128  0.128  1.0
  Al  Al1  1  0.128  0.616  0.128  1.0
  Al  Al2  1  0.128  0.128  0.616  1.0
  Al  Al3  1  0.128  0.128  0.128  1.0
  Al  Al4  1  0.750  0.750  0.750  1.0
  O  O5  1  0.351  0.883  0.883  1.0
  O  O6  1  0.883  0.351  0.883  1.0
  O  O7  1  0.883  0.883  0.351  1.0
  O  O8  1  0.883  0.883  0.883  1.0
  O  O9  1  0.915  0.362  0.362  1.0
  O  O10  1  0.362  0.915  0.362  1.0
  O  O11  1  0.362  0.362  0.915  1.0
  O  O12  1  0.362  0.362  0.362  1.0
[/CIF]
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