The material described by GdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form GdY12 cuboctahedra that share corners with four equivalent Gd(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Gd4Y8 cuboctahedra, edges with eight equivalent Gd(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Gd4Y8 cuboctahedra, faces with four equivalent Gd(1)Y12 cuboctahedra, faces with six equivalent Y(2)Gd4Y8 cuboctahedra, and faces with eight equivalent Y(1)Gd4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Gd(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YGd4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Gd4Y8 cuboctahedra, edges with eight equivalent Gd(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Gd4Y8 cuboctahedra, edges with eight equivalent Y(2)Gd4Y8 cuboctahedra, faces with four equivalent Gd(1)Y12 cuboctahedra, faces with four equivalent Y(2)Gd4Y8 cuboctahedra, and faces with ten equivalent Y(1)Gd4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Gd(1) and eight equivalent Y(1) atoms to form YGd4Y8 cuboctahedra that share corners with four equivalent Y(2)Gd4Y8 cuboctahedra, corners with eight equivalent Gd(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Gd4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Gd4Y8 cuboctahedra, faces with four equivalent Y(2)Gd4Y8 cuboctahedra, faces with six equivalent Gd(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Gd4Y8 cuboctahedra. is represented by the CIF card [CIF]
data_GdY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.420
_cell_length_b   6.420
_cell_length_c   6.420
_cell_angle_alpha   133.880
_cell_angle_beta   133.880
_cell_angle_gamma   67.276
_symmetry_Int_Tables_number   1
_cell_volume   135.213
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.250  0.750  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by GdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form GdY12 cuboctahedra that share corners with four equivalent Gd(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Gd4Y8 cuboctahedra, edges with eight equivalent Gd(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Gd4Y8 cuboctahedra, faces with four equivalent Gd(1)Y12 cuboctahedra, faces with six equivalent Y(2)Gd4Y8 cuboctahedra, and faces with eight equivalent Y(1)Gd4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Gd(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YGd4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Gd4Y8 cuboctahedra, edges with eight equivalent Gd(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Gd4Y8 cuboctahedra, edges with eight equivalent Y(2)Gd4Y8 cuboctahedra, faces with four equivalent Gd(1)Y12 cuboctahedra, faces with four equivalent Y(2)Gd4Y8 cuboctahedra, and faces with ten equivalent Y(1)Gd4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Gd(1) and eight equivalent Y(1) atoms to form YGd4Y8 cuboctahedra that share corners with four equivalent Y(2)Gd4Y8 cuboctahedra, corners with eight equivalent Gd(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Gd4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Gd4Y8 cuboctahedra, faces with four equivalent Y(2)Gd4Y8 cuboctahedra, faces with six equivalent Gd(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Gd4Y8 cuboctahedra. is represented by the CIF card [CIF]
data_GdY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.420
_cell_length_b   6.420
_cell_length_c   6.420
_cell_angle_alpha   133.880
_cell_angle_beta   133.880
_cell_angle_gamma   67.276
_symmetry_Int_Tables_number   1
_cell_volume   135.213
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.250  0.750  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
[/CIF]
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