The compound described by Gd2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Gd site, Gd(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. O(1) is bonded to one Gd(1) and three equivalent Gd(2) atoms to form a mixture of edge and corner-sharing OGd4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.358
_cell_length_b   9.358
_cell_length_c   9.358
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   630.909
_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
  Gd  Gd0  1  0.500  0.500  0.500  1.0
  Gd  Gd1  1  0.000  0.000  0.500  1.0
  Gd  Gd2  1  0.500  0.000  0.000  1.0
  Gd  Gd3  1  0.000  0.500  0.000  1.0
  Gd  Gd4  1  0.250  0.218  0.968  1.0
  Gd  Gd5  1  0.282  0.532  0.750  1.0
  Gd  Gd6  1  0.532  0.750  0.282  1.0
  Gd  Gd7  1  0.218  0.968  0.250  1.0
  Gd  Gd8  1  0.968  0.250  0.218  1.0
  Gd  Gd9  1  0.750  0.282  0.532  1.0
  Gd  Gd10  1  0.750  0.782  0.032  1.0
  Gd  Gd11  1  0.718  0.468  0.250  1.0
  Gd  Gd12  1  0.468  0.250  0.718  1.0
  Gd  Gd13  1  0.782  0.032  0.750  1.0
  Gd  Gd14  1  0.032  0.750  0.782  1.0
  Gd  Gd15  1  0.250  0.718  0.468  1.0
  O  O16  1  0.530  0.770  0.542  1.0
  O  O17  1  0.989  0.958  0.729  1.0
  O  O18  1  0.260  0.771  0.730  1.0
  O  O19  1  0.511  0.240  0.970  1.0
  O  O20  1  0.958  0.729  0.989  1.0
  O  O21  1  0.730  0.260  0.771  1.0
  O  O22  1  0.240  0.970  0.511  1.0
  O  O23  1  0.542  0.530  0.770  1.0
  O  O24  1  0.770  0.542  0.530  1.0
  O  O25  1  0.729  0.989  0.958  1.0
  O  O26  1  0.771  0.730  0.260  1.0
  O  O27  1  0.970  0.511  0.240  1.0
  O  O28  1  0.470  0.230  0.458  1.0
  O  O29  1  0.011  0.042  0.271  1.0
  O  O30  1  0.740  0.229  0.270  1.0
  O  O31  1  0.489  0.760  0.030  1.0
  O  O32  1  0.042  0.271  0.011  1.0
  O  O33  1  0.270  0.740  0.229  1.0
  O  O34  1  0.760  0.030  0.489  1.0
  O  O35  1  0.458  0.470  0.230  1.0
  O  O36  1  0.230  0.458  0.470  1.0
  O  O37  1  0.271  0.011  0.042  1.0
  O  O38  1  0.229  0.270  0.740  1.0
  O  O39  1  0.030  0.489  0.760  1.0
[/CIF]
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The compound described by Gd2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Gd site, Gd(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. O(1) is bonded to one Gd(1) and three equivalent Gd(2) atoms to form a mixture of edge and corner-sharing OGd4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.358
_cell_length_b   9.358
_cell_length_c   9.358
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   630.909
_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
  Gd  Gd0  1  0.500  0.500  0.500  1.0
  Gd  Gd1  1  0.000  0.000  0.500  1.0
  Gd  Gd2  1  0.500  0.000  0.000  1.0
  Gd  Gd3  1  0.000  0.500  0.000  1.0
  Gd  Gd4  1  0.250  0.218  0.968  1.0
  Gd  Gd5  1  0.282  0.532  0.750  1.0
  Gd  Gd6  1  0.532  0.750  0.282  1.0
  Gd  Gd7  1  0.218  0.968  0.250  1.0
  Gd  Gd8  1  0.968  0.250  0.218  1.0
  Gd  Gd9  1  0.750  0.282  0.532  1.0
  Gd  Gd10  1  0.750  0.782  0.032  1.0
  Gd  Gd11  1  0.718  0.468  0.250  1.0
  Gd  Gd12  1  0.468  0.250  0.718  1.0
  Gd  Gd13  1  0.782  0.032  0.750  1.0
  Gd  Gd14  1  0.032  0.750  0.782  1.0
  Gd  Gd15  1  0.250  0.718  0.468  1.0
  O  O16  1  0.530  0.770  0.542  1.0
  O  O17  1  0.989  0.958  0.729  1.0
  O  O18  1  0.260  0.771  0.730  1.0
  O  O19  1  0.511  0.240  0.970  1.0
  O  O20  1  0.958  0.729  0.989  1.0
  O  O21  1  0.730  0.260  0.771  1.0
  O  O22  1  0.240  0.970  0.511  1.0
  O  O23  1  0.542  0.530  0.770  1.0
  O  O24  1  0.770  0.542  0.530  1.0
  O  O25  1  0.729  0.989  0.958  1.0
  O  O26  1  0.771  0.730  0.260  1.0
  O  O27  1  0.970  0.511  0.240  1.0
  O  O28  1  0.470  0.230  0.458  1.0
  O  O29  1  0.011  0.042  0.271  1.0
  O  O30  1  0.740  0.229  0.270  1.0
  O  O31  1  0.489  0.760  0.030  1.0
  O  O32  1  0.042  0.271  0.011  1.0
  O  O33  1  0.270  0.740  0.229  1.0
  O  O34  1  0.760  0.030  0.489  1.0
  O  O35  1  0.458  0.470  0.230  1.0
  O  O36  1  0.230  0.458  0.470  1.0
  O  O37  1  0.271  0.011  0.042  1.0
  O  O38  1  0.229  0.270  0.740  1.0
  O  O39  1  0.030  0.489  0.760  1.0
[/CIF]
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