The material described by Er2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second Er site, Er(2) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles are 56°. O(1) is bonded to one Er(2) and three equivalent Er(1) atoms to form a mixture of corner and edge-sharing OEr4 trigonal pyramids. is represented by the CIF card [CIF]
data_Er2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.054
_cell_length_b   9.054
_cell_length_c   9.054
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   571.323
_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
  Er  Er0  1  0.250  0.033  0.783  1.0
  Er  Er1  1  0.717  0.750  0.467  1.0
  Er  Er2  1  0.467  0.717  0.750  1.0
  Er  Er3  1  0.783  0.250  0.033  1.0
  Er  Er4  1  0.033  0.783  0.250  1.0
  Er  Er5  1  0.750  0.467  0.717  1.0
  Er  Er6  1  0.750  0.967  0.217  1.0
  Er  Er7  1  0.283  0.250  0.533  1.0
  Er  Er8  1  0.533  0.283  0.250  1.0
  Er  Er9  1  0.217  0.750  0.967  1.0
  Er  Er10  1  0.967  0.217  0.750  1.0
  Er  Er11  1  0.250  0.533  0.283  1.0
  Er  Er12  1  0.500  0.500  0.000  1.0
  Er  Er13  1  0.500  0.000  0.500  1.0
  Er  Er14  1  0.000  0.500  0.500  1.0
  Er  Er15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.012  0.469  0.740  1.0
  O  O17  1  0.229  0.272  0.760  1.0
  O  O18  1  0.271  0.031  0.043  1.0
  O  O19  1  0.228  0.457  0.488  1.0
  O  O20  1  0.457  0.488  0.228  1.0
  O  O21  1  0.740  0.012  0.469  1.0
  O  O22  1  0.272  0.760  0.229  1.0
  O  O23  1  0.043  0.271  0.031  1.0
  O  O24  1  0.469  0.740  0.012  1.0
  O  O25  1  0.760  0.229  0.272  1.0
  O  O26  1  0.031  0.043  0.271  1.0
  O  O27  1  0.488  0.228  0.457  1.0
  O  O28  1  0.988  0.531  0.260  1.0
  O  O29  1  0.771  0.728  0.240  1.0
  O  O30  1  0.729  0.969  0.957  1.0
  O  O31  1  0.772  0.543  0.512  1.0
  O  O32  1  0.512  0.772  0.543  1.0
  O  O33  1  0.969  0.957  0.729  1.0
  O  O34  1  0.240  0.771  0.728  1.0
  O  O35  1  0.531  0.260  0.988  1.0
  O  O36  1  0.957  0.729  0.969  1.0
  O  O37  1  0.728  0.240  0.771  1.0
  O  O38  1  0.260  0.988  0.531  1.0
  O  O39  1  0.543  0.512  0.772  1.0
[/CIF]
.
The material described by Er2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second Er site, Er(2) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles are 56°. O(1) is bonded to one Er(2) and three equivalent Er(1) atoms to form a mixture of corner and edge-sharing OEr4 trigonal pyramids. is represented by the CIF card [CIF]
data_Er2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.054
_cell_length_b   9.054
_cell_length_c   9.054
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   571.323
_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
  Er  Er0  1  0.250  0.033  0.783  1.0
  Er  Er1  1  0.717  0.750  0.467  1.0
  Er  Er2  1  0.467  0.717  0.750  1.0
  Er  Er3  1  0.783  0.250  0.033  1.0
  Er  Er4  1  0.033  0.783  0.250  1.0
  Er  Er5  1  0.750  0.467  0.717  1.0
  Er  Er6  1  0.750  0.967  0.217  1.0
  Er  Er7  1  0.283  0.250  0.533  1.0
  Er  Er8  1  0.533  0.283  0.250  1.0
  Er  Er9  1  0.217  0.750  0.967  1.0
  Er  Er10  1  0.967  0.217  0.750  1.0
  Er  Er11  1  0.250  0.533  0.283  1.0
  Er  Er12  1  0.500  0.500  0.000  1.0
  Er  Er13  1  0.500  0.000  0.500  1.0
  Er  Er14  1  0.000  0.500  0.500  1.0
  Er  Er15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.012  0.469  0.740  1.0
  O  O17  1  0.229  0.272  0.760  1.0
  O  O18  1  0.271  0.031  0.043  1.0
  O  O19  1  0.228  0.457  0.488  1.0
  O  O20  1  0.457  0.488  0.228  1.0
  O  O21  1  0.740  0.012  0.469  1.0
  O  O22  1  0.272  0.760  0.229  1.0
  O  O23  1  0.043  0.271  0.031  1.0
  O  O24  1  0.469  0.740  0.012  1.0
  O  O25  1  0.760  0.229  0.272  1.0
  O  O26  1  0.031  0.043  0.271  1.0
  O  O27  1  0.488  0.228  0.457  1.0
  O  O28  1  0.988  0.531  0.260  1.0
  O  O29  1  0.771  0.728  0.240  1.0
  O  O30  1  0.729  0.969  0.957  1.0
  O  O31  1  0.772  0.543  0.512  1.0
  O  O32  1  0.512  0.772  0.543  1.0
  O  O33  1  0.969  0.957  0.729  1.0
  O  O34  1  0.240  0.771  0.728  1.0
  O  O35  1  0.531  0.260  0.988  1.0
  O  O36  1  0.957  0.729  0.969  1.0
  O  O37  1  0.728  0.240  0.771  1.0
  O  O38  1  0.260  0.988  0.531  1.0
  O  O39  1  0.543  0.512  0.772  1.0
[/CIF]
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