The material described by YbCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Yb(1) is bonded to twelve Cd(1,1) atoms to form YbCd12 cuboctahedra that share corners with six equivalent Yb(1)Cd12 cuboctahedra; corners with twelve Cd(1,1)Yb4Cd8 cuboctahedra; edges with eighteen Cd(1,1)Yb4Cd8 cuboctahedra; faces with eight equivalent Yb(1)Cd12 cuboctahedra; and faces with twelve Cd(1,1)Yb4Cd8 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Yb(1) and eight Cd(1,1) atoms to form distorted CdYb4Cd8 cuboctahedra that share corners with four equivalent Yb(1)Cd12 cuboctahedra; corners with fourteen equivalent Cd(1)Yb4Cd8 cuboctahedra; edges with six equivalent Yb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1)Yb4Cd8 cuboctahedra; faces with four equivalent Yb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1)Yb4Cd8 cuboctahedra. In the second Cd site, Cd(1) is bonded to four equivalent Yb(1) and eight equivalent Cd(1) atoms to form distorted CdYb4Cd8 cuboctahedra that share corners with four equivalent Yb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1)Yb4Cd8 cuboctahedra; edges with six equivalent Yb(1)Cd12 cuboctahedra; edges with twelve equivalent Cd(1)Yb4Cd8 cuboctahedra; faces with four equivalent Yb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1)Yb4Cd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.560
_cell_length_b   6.560
_cell_length_c   5.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.568
_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
  Cd  Cd2  1  0.162  0.324  0.250  1.0
  Cd  Cd3  1  0.676  0.838  0.250  1.0
  Cd  Cd4  1  0.162  0.838  0.250  1.0
  Cd  Cd5  1  0.838  0.676  0.750  1.0
  Cd  Cd6  1  0.324  0.162  0.750  1.0
  Cd  Cd7  1  0.838  0.162  0.750  1.0
[/CIF]
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The material described by YbCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Yb(1) is bonded to twelve Cd(1,1) atoms to form YbCd12 cuboctahedra that share corners with six equivalent Yb(1)Cd12 cuboctahedra; corners with twelve Cd(1,1)Yb4Cd8 cuboctahedra; edges with eighteen Cd(1,1)Yb4Cd8 cuboctahedra; faces with eight equivalent Yb(1)Cd12 cuboctahedra; and faces with twelve Cd(1,1)Yb4Cd8 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Yb(1) and eight Cd(1,1) atoms to form distorted CdYb4Cd8 cuboctahedra that share corners with four equivalent Yb(1)Cd12 cuboctahedra; corners with fourteen equivalent Cd(1)Yb4Cd8 cuboctahedra; edges with six equivalent Yb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1)Yb4Cd8 cuboctahedra; faces with four equivalent Yb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1)Yb4Cd8 cuboctahedra. In the second Cd site, Cd(1) is bonded to four equivalent Yb(1) and eight equivalent Cd(1) atoms to form distorted CdYb4Cd8 cuboctahedra that share corners with four equivalent Yb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1)Yb4Cd8 cuboctahedra; edges with six equivalent Yb(1)Cd12 cuboctahedra; edges with twelve equivalent Cd(1)Yb4Cd8 cuboctahedra; faces with four equivalent Yb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1)Yb4Cd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.560
_cell_length_b   6.560
_cell_length_c   5.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.568
_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
  Cd  Cd2  1  0.162  0.324  0.250  1.0
  Cd  Cd3  1  0.676  0.838  0.250  1.0
  Cd  Cd4  1  0.162  0.838  0.250  1.0
  Cd  Cd5  1  0.838  0.676  0.750  1.0
  Cd  Cd6  1  0.324  0.162  0.750  1.0
  Cd  Cd7  1  0.838  0.162  0.750  1.0
[/CIF]
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