The compound described by Yb2Nd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Nd(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing NdO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1) and two equivalent Nd(1) atoms to form distorted OYb2Nd2 tetrahedra that share corners with two equivalent O(2)Yb4Nd2 octahedra, corners with ten equivalent O(1)Yb2Nd2 tetrahedra, and edges with five equivalent O(1)Yb2Nd2 tetrahedra. The corner-sharing octahedral tilt angles are 75°. In the second O site, O(2) is bonded to four equivalent Yb(2) and two equivalent Nd(1) atoms to form OYb4Nd2 octahedra that share corners with four equivalent O(2)Yb4Nd2 octahedra, corners with eight equivalent O(1)Yb2Nd2 tetrahedra, and edges with four equivalent O(2)Yb4Nd2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Yb2Nd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.329
_cell_length_b   4.329
_cell_length_c   8.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.881
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.233  1.0
  Nd  Nd3  1  0.500  0.500  0.767  1.0
  O  O4  1  0.500  0.000  0.163  1.0
  O  O5  1  0.500  0.000  0.837  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.163  1.0
  O  O8  1  0.000  0.500  0.837  1.0
[/CIF]
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The compound described by Yb2Nd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Nd(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing NdO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1) and two equivalent Nd(1) atoms to form distorted OYb2Nd2 tetrahedra that share corners with two equivalent O(2)Yb4Nd2 octahedra, corners with ten equivalent O(1)Yb2Nd2 tetrahedra, and edges with five equivalent O(1)Yb2Nd2 tetrahedra. The corner-sharing octahedral tilt angles are 75°. In the second O site, O(2) is bonded to four equivalent Yb(2) and two equivalent Nd(1) atoms to form OYb4Nd2 octahedra that share corners with four equivalent O(2)Yb4Nd2 octahedra, corners with eight equivalent O(1)Yb2Nd2 tetrahedra, and edges with four equivalent O(2)Yb4Nd2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Yb2Nd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.329
_cell_length_b   4.329
_cell_length_c   8.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.881
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.233  1.0
  Nd  Nd3  1  0.500  0.500  0.767  1.0
  O  O4  1  0.500  0.000  0.163  1.0
  O  O5  1  0.500  0.000  0.837  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.163  1.0
  O  O8  1  0.000  0.500  0.837  1.0
[/CIF]
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