The material described by Al2O3 crystallizes in the orthorhombic Cmc2_1 space group. Al(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.564
_cell_length_c   4.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.293
_symmetry_Int_Tables_number   1
_cell_volume   131.074
_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  0.008  0.329  0.932  1.0
  Al  Al1  1  0.671  0.992  0.932  1.0
  Al  Al2  1  0.329  0.008  0.432  1.0
  Al  Al3  1  0.992  0.671  0.432  1.0
  O  O4  1  0.219  0.781  0.489  1.0
  O  O5  1  0.101  0.341  0.588  1.0
  O  O6  1  0.659  0.899  0.588  1.0
  O  O7  1  0.341  0.101  0.088  1.0
  O  O8  1  0.899  0.659  0.088  1.0
  O  O9  1  0.781  0.219  0.989  1.0
[/CIF]
.
The material described by Al2O3 crystallizes in the orthorhombic Cmc2_1 space group. Al(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.564
_cell_length_c   4.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.293
_symmetry_Int_Tables_number   1
_cell_volume   131.074
_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  0.008  0.329  0.932  1.0
  Al  Al1  1  0.671  0.992  0.932  1.0
  Al  Al2  1  0.329  0.008  0.432  1.0
  Al  Al3  1  0.992  0.671  0.432  1.0
  O  O4  1  0.219  0.781  0.489  1.0
  O  O5  1  0.101  0.341  0.588  1.0
  O  O6  1  0.659  0.899  0.588  1.0
  O  O7  1  0.341  0.101  0.088  1.0
  O  O8  1  0.899  0.659  0.088  1.0
  O  O9  1  0.781  0.219  0.989  1.0
[/CIF]
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