The compound described by YbGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Yb(1) is bonded to twelve Gd(1,1) atoms to form YbGd12 cuboctahedra that share corners with six equivalent Yb(1)Gd12 cuboctahedra; corners with twelve equivalent Gd(1)Yb4Gd8 cuboctahedra; edges with eighteen Gd(1,1)Yb4Gd8 cuboctahedra; faces with eight equivalent Yb(1)Gd12 cuboctahedra; and faces with twelve Gd(1,1)Yb4Gd8 cuboctahedra. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent Yb(1) and eight Gd(1,1) atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent Yb(1)Gd12 cuboctahedra; corners with fourteen Gd(1,1)Yb4Gd8 cuboctahedra; edges with six equivalent Yb(1)Gd12 cuboctahedra; edges with twelve Gd(1,1)Yb4Gd8 cuboctahedra; faces with four equivalent Yb(1)Gd12 cuboctahedra; and faces with sixteen Gd(1,1)Yb4Gd8 cuboctahedra. In the second Gd site, Gd(1) is bonded to four equivalent Yb(1) and eight equivalent Gd(1) atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent Yb(1)Gd12 cuboctahedra; corners with fourteen Gd(1,1)Yb4Gd8 cuboctahedra; edges with six equivalent Yb(1)Gd12 cuboctahedra; edges with twelve equivalent Gd(1)Yb4Gd8 cuboctahedra; faces with four equivalent Yb(1)Gd12 cuboctahedra; and faces with sixteen Gd(1,1)Yb4Gd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbGd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.870
_cell_length_b   6.870
_cell_length_c   5.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   219.161
_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
  Yb  Yb0  1  0.333  0.667  0.750  1.0
  Yb  Yb1  1  0.667  0.333  0.250  1.0
  Gd  Gd2  1  0.164  0.328  0.250  1.0
  Gd  Gd3  1  0.672  0.836  0.250  1.0
  Gd  Gd4  1  0.164  0.836  0.250  1.0
  Gd  Gd5  1  0.836  0.672  0.750  1.0
  Gd  Gd6  1  0.328  0.164  0.750  1.0
  Gd  Gd7  1  0.836  0.164  0.750  1.0
[/CIF]
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The compound described by YbGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Yb(1) is bonded to twelve Gd(1,1) atoms to form YbGd12 cuboctahedra that share corners with six equivalent Yb(1)Gd12 cuboctahedra; corners with twelve equivalent Gd(1)Yb4Gd8 cuboctahedra; edges with eighteen Gd(1,1)Yb4Gd8 cuboctahedra; faces with eight equivalent Yb(1)Gd12 cuboctahedra; and faces with twelve Gd(1,1)Yb4Gd8 cuboctahedra. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent Yb(1) and eight Gd(1,1) atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent Yb(1)Gd12 cuboctahedra; corners with fourteen Gd(1,1)Yb4Gd8 cuboctahedra; edges with six equivalent Yb(1)Gd12 cuboctahedra; edges with twelve Gd(1,1)Yb4Gd8 cuboctahedra; faces with four equivalent Yb(1)Gd12 cuboctahedra; and faces with sixteen Gd(1,1)Yb4Gd8 cuboctahedra. In the second Gd site, Gd(1) is bonded to four equivalent Yb(1) and eight equivalent Gd(1) atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent Yb(1)Gd12 cuboctahedra; corners with fourteen Gd(1,1)Yb4Gd8 cuboctahedra; edges with six equivalent Yb(1)Gd12 cuboctahedra; edges with twelve equivalent Gd(1)Yb4Gd8 cuboctahedra; faces with four equivalent Yb(1)Gd12 cuboctahedra; and faces with sixteen Gd(1,1)Yb4Gd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbGd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.870
_cell_length_b   6.870
_cell_length_c   5.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   219.161
_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
  Yb  Yb0  1  0.333  0.667  0.750  1.0
  Yb  Yb1  1  0.667  0.333  0.250  1.0
  Gd  Gd2  1  0.164  0.328  0.250  1.0
  Gd  Gd3  1  0.672  0.836  0.250  1.0
  Gd  Gd4  1  0.164  0.836  0.250  1.0
  Gd  Gd5  1  0.836  0.672  0.750  1.0
  Gd  Gd6  1  0.328  0.164  0.750  1.0
  Gd  Gd7  1  0.836  0.164  0.750  1.0
[/CIF]
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