The compound described by Y2O3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OY5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form a mixture of distorted corner, edge, and face-sharing OY5 trigonal bipyramids. In the third O site, O(3) is bonded to one Y(2) and four equivalent Y(1) atoms to form a mixture of distorted corner, edge, and face-sharing OY5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Y2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   3.344
_cell_length_c   13.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.788
_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
  Y  Y0  1  0.683  0.250  0.302  1.0
  Y  Y1  1  0.183  0.250  0.198  1.0
  Y  Y2  1  0.317  0.750  0.698  1.0
  Y  Y3  1  0.817  0.750  0.802  1.0
  Y  Y4  1  0.259  0.250  0.949  1.0
  Y  Y5  1  0.759  0.250  0.551  1.0
  Y  Y6  1  0.741  0.750  0.051  1.0
  Y  Y7  1  0.241  0.750  0.449  1.0
  O  O8  1  0.527  0.250  0.109  1.0
  O  O9  1  0.027  0.250  0.391  1.0
  O  O10  1  0.473  0.750  0.891  1.0
  O  O11  1  0.973  0.750  0.609  1.0
  O  O12  1  0.361  0.250  0.563  1.0
  O  O13  1  0.861  0.250  0.937  1.0
  O  O14  1  0.639  0.750  0.437  1.0
  O  O15  1  0.139  0.750  0.063  1.0
  O  O16  1  0.128  0.250  0.781  1.0
  O  O17  1  0.628  0.250  0.719  1.0
  O  O18  1  0.872  0.750  0.219  1.0
  O  O19  1  0.372  0.750  0.281  1.0
[/CIF]
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The compound described by Y2O3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OY5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form a mixture of distorted corner, edge, and face-sharing OY5 trigonal bipyramids. In the third O site, O(3) is bonded to one Y(2) and four equivalent Y(1) atoms to form a mixture of distorted corner, edge, and face-sharing OY5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Y2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   3.344
_cell_length_c   13.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.788
_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
  Y  Y0  1  0.683  0.250  0.302  1.0
  Y  Y1  1  0.183  0.250  0.198  1.0
  Y  Y2  1  0.317  0.750  0.698  1.0
  Y  Y3  1  0.817  0.750  0.802  1.0
  Y  Y4  1  0.259  0.250  0.949  1.0
  Y  Y5  1  0.759  0.250  0.551  1.0
  Y  Y6  1  0.741  0.750  0.051  1.0
  Y  Y7  1  0.241  0.750  0.449  1.0
  O  O8  1  0.527  0.250  0.109  1.0
  O  O9  1  0.027  0.250  0.391  1.0
  O  O10  1  0.473  0.750  0.891  1.0
  O  O11  1  0.973  0.750  0.609  1.0
  O  O12  1  0.361  0.250  0.563  1.0
  O  O13  1  0.861  0.250  0.937  1.0
  O  O14  1  0.639  0.750  0.437  1.0
  O  O15  1  0.139  0.750  0.063  1.0
  O  O16  1  0.128  0.250  0.781  1.0
  O  O17  1  0.628  0.250  0.719  1.0
  O  O18  1  0.872  0.750  0.219  1.0
  O  O19  1  0.372  0.750  0.281  1.0
[/CIF]
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