The compound described by Gd3YO6 is Spinel-like structured and crystallizes in the trigonal R-3 space group. Gd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted GdO6 pentagonal pyramids that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Y(2)O6 octahedra, corners with four equivalent Gd(1)O6 pentagonal pyramids,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Y(2)O6 octahedra, and edges with four equivalent Gd(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-50°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to six equivalent O(1) atoms to form YO6 octahedra that share corners with six equivalent Gd(1)O6 pentagonal pyramids and edges with six equivalent Gd(1)O6 pentagonal pyramids. In the second Y site, Y(2) is bonded to six equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Gd(1)O6 pentagonal pyramids and edges with six equivalent Gd(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Gd(1) and one Y(1) atom to form a mixture of edge and corner-sharing OGd3Y trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Gd(1) and one Y(2) atom to form a mixture of distorted edge and corner-sharing OGd3Y trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3YO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.823
_cell_length_b   6.823
_cell_length_c   6.823
_cell_angle_alpha   91.710
_cell_angle_beta   91.710
_cell_angle_gamma   91.710
_symmetry_Int_Tables_number   1
_cell_volume   317.217
_cell_formula_units_Z   2
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  0.748  0.937  0.443  1.0
  Gd  Gd1  1  0.443  0.748  0.937  1.0
  Gd  Gd2  1  0.063  0.557  0.252  1.0
  Gd  Gd3  1  0.937  0.443  0.748  1.0
  Gd  Gd4  1  0.557  0.252  0.063  1.0
  Gd  Gd5  1  0.252  0.063  0.557  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Y  Y7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.069  0.907  0.314  1.0
  O  O9  1  0.686  0.931  0.093  1.0
  O  O10  1  0.469  0.816  0.600  1.0
  O  O11  1  0.093  0.686  0.931  1.0
  O  O12  1  0.816  0.600  0.469  1.0
  O  O13  1  0.400  0.531  0.184  1.0
  O  O14  1  0.600  0.469  0.816  1.0
  O  O15  1  0.184  0.400  0.531  1.0
  O  O16  1  0.907  0.314  0.069  1.0
  O  O17  1  0.531  0.184  0.400  1.0
  O  O18  1  0.314  0.069  0.907  1.0
  O  O19  1  0.931  0.093  0.686  1.0
[/CIF]
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The compound described by Gd3YO6 is Spinel-like structured and crystallizes in the trigonal R-3 space group. Gd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted GdO6 pentagonal pyramids that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Y(2)O6 octahedra, corners with four equivalent Gd(1)O6 pentagonal pyramids,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Y(2)O6 octahedra, and edges with four equivalent Gd(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-50°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to six equivalent O(1) atoms to form YO6 octahedra that share corners with six equivalent Gd(1)O6 pentagonal pyramids and edges with six equivalent Gd(1)O6 pentagonal pyramids. In the second Y site, Y(2) is bonded to six equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Gd(1)O6 pentagonal pyramids and edges with six equivalent Gd(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Gd(1) and one Y(1) atom to form a mixture of edge and corner-sharing OGd3Y trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Gd(1) and one Y(2) atom to form a mixture of distorted edge and corner-sharing OGd3Y trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3YO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.823
_cell_length_b   6.823
_cell_length_c   6.823
_cell_angle_alpha   91.710
_cell_angle_beta   91.710
_cell_angle_gamma   91.710
_symmetry_Int_Tables_number   1
_cell_volume   317.217
_cell_formula_units_Z   2
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  0.748  0.937  0.443  1.0
  Gd  Gd1  1  0.443  0.748  0.937  1.0
  Gd  Gd2  1  0.063  0.557  0.252  1.0
  Gd  Gd3  1  0.937  0.443  0.748  1.0
  Gd  Gd4  1  0.557  0.252  0.063  1.0
  Gd  Gd5  1  0.252  0.063  0.557  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Y  Y7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.069  0.907  0.314  1.0
  O  O9  1  0.686  0.931  0.093  1.0
  O  O10  1  0.469  0.816  0.600  1.0
  O  O11  1  0.093  0.686  0.931  1.0
  O  O12  1  0.816  0.600  0.469  1.0
  O  O13  1  0.400  0.531  0.184  1.0
  O  O14  1  0.600  0.469  0.816  1.0
  O  O15  1  0.184  0.400  0.531  1.0
  O  O16  1  0.907  0.314  0.069  1.0
  O  O17  1  0.531  0.184  0.400  1.0
  O  O18  1  0.314  0.069  0.907  1.0
  O  O19  1  0.931  0.093  0.686  1.0
[/CIF]
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