The compound described by Na3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1) and four equivalent Yb(1) atoms to form distorted NaNa8Yb4 cuboctahedra that share corners with four equivalent Yb(1)Na12 cuboctahedra; corners with fourteen equivalent Na(1)Na8Yb4 cuboctahedra; edges with six equivalent Yb(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8Yb4 cuboctahedra; faces with four equivalent Yb(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Yb4 cuboctahedra. In the second Na site, Na(1) is bonded to eight Na(1,1) and four equivalent Yb(1) atoms to form distorted NaNa8Yb4 cuboctahedra that share corners with four equivalent Yb(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Yb4 cuboctahedra; edges with six equivalent Yb(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8Yb4 cuboctahedra; faces with four equivalent Yb(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Yb4 cuboctahedra. Yb(1) is bonded to twelve Na(1,1) atoms to form YbNa12 cuboctahedra that share corners with six equivalent Yb(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Yb4 cuboctahedra; edges with eighteen Na(1,1)Na8Yb4 cuboctahedra; faces with eight equivalent Yb(1)Na12 cuboctahedra; and faces with twelve Na(1,1)Na8Yb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.695
_cell_length_b   7.695
_cell_length_c   6.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   309.577
_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
  Na  Na0  1  0.161  0.323  0.250  1.0
  Na  Na1  1  0.677  0.839  0.250  1.0
  Na  Na2  1  0.161  0.839  0.250  1.0
  Na  Na3  1  0.839  0.677  0.750  1.0
  Na  Na4  1  0.323  0.161  0.750  1.0
  Na  Na5  1  0.839  0.161  0.750  1.0
  Yb  Yb6  1  0.333  0.667  0.750  1.0
  Yb  Yb7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Na3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1) and four equivalent Yb(1) atoms to form distorted NaNa8Yb4 cuboctahedra that share corners with four equivalent Yb(1)Na12 cuboctahedra; corners with fourteen equivalent Na(1)Na8Yb4 cuboctahedra; edges with six equivalent Yb(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8Yb4 cuboctahedra; faces with four equivalent Yb(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Yb4 cuboctahedra. In the second Na site, Na(1) is bonded to eight Na(1,1) and four equivalent Yb(1) atoms to form distorted NaNa8Yb4 cuboctahedra that share corners with four equivalent Yb(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Yb4 cuboctahedra; edges with six equivalent Yb(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8Yb4 cuboctahedra; faces with four equivalent Yb(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8Yb4 cuboctahedra. Yb(1) is bonded to twelve Na(1,1) atoms to form YbNa12 cuboctahedra that share corners with six equivalent Yb(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Yb4 cuboctahedra; edges with eighteen Na(1,1)Na8Yb4 cuboctahedra; faces with eight equivalent Yb(1)Na12 cuboctahedra; and faces with twelve Na(1,1)Na8Yb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.695
_cell_length_b   7.695
_cell_length_c   6.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   309.577
_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
  Na  Na0  1  0.161  0.323  0.250  1.0
  Na  Na1  1  0.677  0.839  0.250  1.0
  Na  Na2  1  0.161  0.839  0.250  1.0
  Na  Na3  1  0.839  0.677  0.750  1.0
  Na  Na4  1  0.323  0.161  0.750  1.0
  Na  Na5  1  0.839  0.161  0.750  1.0
  Yb  Yb6  1  0.333  0.667  0.750  1.0
  Yb  Yb7  1  0.667  0.333  0.250  1.0
[/CIF]
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