The structure described by Tb2Y2O5 crystallizes in the tetragonal P4/mmm space group. Tb(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Y(1) atoms to form OTb2Y2 tetrahedra that share corners with two equivalent O(2)Tb2Y4 octahedra, corners with ten equivalent O(1)Tb2Y2 tetrahedra, and edges with five equivalent O(1)Tb2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the second O site, O(2) is bonded to two equivalent Tb(1) and four equivalent Y(2) atoms to form OTb2Y4 octahedra that share corners with four equivalent O(2)Tb2Y4 octahedra, corners with eight equivalent O(1)Tb2Y2 tetrahedra, and edges with four equivalent O(2)Tb2Y4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Tb2Y2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.908
_cell_length_b   3.908
_cell_length_c   9.875
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.819
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.500  0.500  0.237  1.0
  Tb  Tb1  1  0.500  0.500  0.763  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.140  1.0
  O  O5  1  0.500  0.000  0.860  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.140  1.0
  O  O8  1  0.000  0.500  0.860  1.0
[/CIF]
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The structure described by Tb2Y2O5 crystallizes in the tetragonal P4/mmm space group. Tb(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Y(1) atoms to form OTb2Y2 tetrahedra that share corners with two equivalent O(2)Tb2Y4 octahedra, corners with ten equivalent O(1)Tb2Y2 tetrahedra, and edges with five equivalent O(1)Tb2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the second O site, O(2) is bonded to two equivalent Tb(1) and four equivalent Y(2) atoms to form OTb2Y4 octahedra that share corners with four equivalent O(2)Tb2Y4 octahedra, corners with eight equivalent O(1)Tb2Y2 tetrahedra, and edges with four equivalent O(2)Tb2Y4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Tb2Y2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.908
_cell_length_b   3.908
_cell_length_c   9.875
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.819
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.500  0.500  0.237  1.0
  Tb  Tb1  1  0.500  0.500  0.763  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.140  1.0
  O  O5  1  0.500  0.000  0.860  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.140  1.0
  O  O8  1  0.000  0.500  0.860  1.0
[/CIF]
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