The material described by Al2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Al(1) is bonded to six equivalent O(1) atoms to form a mixture of edge, corner, and face-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. O(1) is bonded to four equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   5.178
_cell_angle_alpha   55.290
_cell_angle_beta   55.290
_cell_angle_gamma   55.290
_symmetry_Int_Tables_number   1
_cell_volume   87.420
_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  0.648  0.648  0.648  1.0
  Al  Al1  1  0.852  0.852  0.852  1.0
  Al  Al2  1  0.148  0.148  0.148  1.0
  Al  Al3  1  0.352  0.352  0.352  1.0
  O  O4  1  0.444  0.056  0.750  1.0
  O  O5  1  0.944  0.250  0.556  1.0
  O  O6  1  0.056  0.750  0.444  1.0
  O  O7  1  0.750  0.444  0.056  1.0
  O  O8  1  0.250  0.556  0.944  1.0
  O  O9  1  0.556  0.944  0.250  1.0
[/CIF]
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The material described by Al2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Al(1) is bonded to six equivalent O(1) atoms to form a mixture of edge, corner, and face-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. O(1) is bonded to four equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   5.178
_cell_angle_alpha   55.290
_cell_angle_beta   55.290
_cell_angle_gamma   55.290
_symmetry_Int_Tables_number   1
_cell_volume   87.420
_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  0.648  0.648  0.648  1.0
  Al  Al1  1  0.852  0.852  0.852  1.0
  Al  Al2  1  0.148  0.148  0.148  1.0
  Al  Al3  1  0.352  0.352  0.352  1.0
  O  O4  1  0.444  0.056  0.750  1.0
  O  O5  1  0.944  0.250  0.556  1.0
  O  O6  1  0.056  0.750  0.444  1.0
  O  O7  1  0.750  0.444  0.056  1.0
  O  O8  1  0.250  0.556  0.944  1.0
  O  O9  1  0.556  0.944  0.250  1.0
[/CIF]
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