The crystal structure described by Y2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second Y site, Y(2) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 56°. O(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing OY4 trigonal pyramids. is represented by the CIF file [CIF]
data_Y2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.187
_cell_length_b   9.187
_cell_length_c   9.187
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   596.828
_cell_formula_units_Z   8
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
  Y  Y0  1  0.250  0.717  0.467  1.0
  Y  Y1  1  0.033  0.750  0.783  1.0
  Y  Y2  1  0.783  0.033  0.750  1.0
  Y  Y3  1  0.467  0.250  0.717  1.0
  Y  Y4  1  0.717  0.467  0.250  1.0
  Y  Y5  1  0.750  0.783  0.033  1.0
  Y  Y6  1  0.750  0.283  0.533  1.0
  Y  Y7  1  0.967  0.250  0.217  1.0
  Y  Y8  1  0.217  0.967  0.250  1.0
  Y  Y9  1  0.533  0.750  0.283  1.0
  Y  Y10  1  0.283  0.533  0.750  1.0
  Y  Y11  1  0.250  0.217  0.967  1.0
  Y  Y12  1  0.000  0.500  0.000  1.0
  Y  Y13  1  0.500  0.000  0.000  1.0
  Y  Y14  1  0.000  0.000  0.500  1.0
  Y  Y15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.032  0.489  0.761  1.0
  O  O17  1  0.228  0.271  0.739  1.0
  O  O18  1  0.272  0.011  0.043  1.0
  O  O19  1  0.229  0.457  0.468  1.0
  O  O20  1  0.457  0.468  0.229  1.0
  O  O21  1  0.761  0.032  0.489  1.0
  O  O22  1  0.271  0.739  0.228  1.0
  O  O23  1  0.043  0.272  0.011  1.0
  O  O24  1  0.489  0.761  0.032  1.0
  O  O25  1  0.739  0.228  0.271  1.0
  O  O26  1  0.011  0.043  0.272  1.0
  O  O27  1  0.468  0.229  0.457  1.0
  O  O28  1  0.968  0.511  0.239  1.0
  O  O29  1  0.772  0.729  0.261  1.0
  O  O30  1  0.728  0.989  0.957  1.0
  O  O31  1  0.771  0.543  0.532  1.0
  O  O32  1  0.532  0.771  0.543  1.0
  O  O33  1  0.989  0.957  0.728  1.0
  O  O34  1  0.261  0.772  0.729  1.0
  O  O35  1  0.511  0.239  0.968  1.0
  O  O36  1  0.957  0.728  0.989  1.0
  O  O37  1  0.729  0.261  0.772  1.0
  O  O38  1  0.239  0.968  0.511  1.0
  O  O39  1  0.543  0.532  0.771  1.0
[/CIF]
.
The crystal structure described by Y2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second Y site, Y(2) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 56°. O(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form a mixture of corner and edge-sharing OY4 trigonal pyramids. is represented by the CIF file [CIF]
data_Y2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.187
_cell_length_b   9.187
_cell_length_c   9.187
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   596.828
_cell_formula_units_Z   8
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
  Y  Y0  1  0.250  0.717  0.467  1.0
  Y  Y1  1  0.033  0.750  0.783  1.0
  Y  Y2  1  0.783  0.033  0.750  1.0
  Y  Y3  1  0.467  0.250  0.717  1.0
  Y  Y4  1  0.717  0.467  0.250  1.0
  Y  Y5  1  0.750  0.783  0.033  1.0
  Y  Y6  1  0.750  0.283  0.533  1.0
  Y  Y7  1  0.967  0.250  0.217  1.0
  Y  Y8  1  0.217  0.967  0.250  1.0
  Y  Y9  1  0.533  0.750  0.283  1.0
  Y  Y10  1  0.283  0.533  0.750  1.0
  Y  Y11  1  0.250  0.217  0.967  1.0
  Y  Y12  1  0.000  0.500  0.000  1.0
  Y  Y13  1  0.500  0.000  0.000  1.0
  Y  Y14  1  0.000  0.000  0.500  1.0
  Y  Y15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.032  0.489  0.761  1.0
  O  O17  1  0.228  0.271  0.739  1.0
  O  O18  1  0.272  0.011  0.043  1.0
  O  O19  1  0.229  0.457  0.468  1.0
  O  O20  1  0.457  0.468  0.229  1.0
  O  O21  1  0.761  0.032  0.489  1.0
  O  O22  1  0.271  0.739  0.228  1.0
  O  O23  1  0.043  0.272  0.011  1.0
  O  O24  1  0.489  0.761  0.032  1.0
  O  O25  1  0.739  0.228  0.271  1.0
  O  O26  1  0.011  0.043  0.272  1.0
  O  O27  1  0.468  0.229  0.457  1.0
  O  O28  1  0.968  0.511  0.239  1.0
  O  O29  1  0.772  0.729  0.261  1.0
  O  O30  1  0.728  0.989  0.957  1.0
  O  O31  1  0.771  0.543  0.532  1.0
  O  O32  1  0.532  0.771  0.543  1.0
  O  O33  1  0.989  0.957  0.728  1.0
  O  O34  1  0.261  0.772  0.729  1.0
  O  O35  1  0.511  0.239  0.968  1.0
  O  O36  1  0.957  0.728  0.989  1.0
  O  O37  1  0.729  0.261  0.772  1.0
  O  O38  1  0.239  0.968  0.511  1.0
  O  O39  1  0.543  0.532  0.771  1.0
[/CIF]
.