The compound described by Al2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of face, corner, and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl4 tetrahedra. In the second O site, O(2) is bonded to four 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_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.847
_cell_length_b   4.985
_cell_length_c   7.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.321
_cell_formula_units_Z   4
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  0.252  0.031  0.390  1.0
  Al  Al1  1  0.252  0.469  0.610  1.0
  Al  Al2  1  0.248  0.531  0.110  1.0
  Al  Al3  1  0.248  0.969  0.890  1.0
  Al  Al4  1  0.748  0.969  0.610  1.0
  Al  Al5  1  0.748  0.531  0.390  1.0
  Al  Al6  1  0.752  0.469  0.890  1.0
  Al  Al7  1  0.752  0.031  0.110  1.0
  O  O8  1  0.107  0.102  0.654  1.0
  O  O9  1  0.107  0.398  0.346  1.0
  O  O10  1  0.393  0.602  0.846  1.0
  O  O11  1  0.393  0.898  0.154  1.0
  O  O12  1  0.893  0.898  0.346  1.0
  O  O13  1  0.893  0.602  0.654  1.0
  O  O14  1  0.607  0.398  0.154  1.0
  O  O15  1  0.607  0.102  0.846  1.0
  O  O16  1  0.049  0.250  0.000  1.0
  O  O17  1  0.451  0.750  0.500  1.0
  O  O18  1  0.951  0.750  0.000  1.0
  O  O19  1  0.549  0.250  0.500  1.0
[/CIF]
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The compound described by Al2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of face, corner, and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl4 tetrahedra. In the second O site, O(2) is bonded to four 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_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.847
_cell_length_b   4.985
_cell_length_c   7.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.321
_cell_formula_units_Z   4
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  0.252  0.031  0.390  1.0
  Al  Al1  1  0.252  0.469  0.610  1.0
  Al  Al2  1  0.248  0.531  0.110  1.0
  Al  Al3  1  0.248  0.969  0.890  1.0
  Al  Al4  1  0.748  0.969  0.610  1.0
  Al  Al5  1  0.748  0.531  0.390  1.0
  Al  Al6  1  0.752  0.469  0.890  1.0
  Al  Al7  1  0.752  0.031  0.110  1.0
  O  O8  1  0.107  0.102  0.654  1.0
  O  O9  1  0.107  0.398  0.346  1.0
  O  O10  1  0.393  0.602  0.846  1.0
  O  O11  1  0.393  0.898  0.154  1.0
  O  O12  1  0.893  0.898  0.346  1.0
  O  O13  1  0.893  0.602  0.654  1.0
  O  O14  1  0.607  0.398  0.154  1.0
  O  O15  1  0.607  0.102  0.846  1.0
  O  O16  1  0.049  0.250  0.000  1.0
  O  O17  1  0.451  0.750  0.500  1.0
  O  O18  1  0.951  0.750  0.000  1.0
  O  O19  1  0.549  0.250  0.500  1.0
[/CIF]
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