The material structure described by Yb3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent Yb(1), four equivalent Yb(2), and four equivalent Nb(1) atoms to form distorted YbYb8Nb4 cuboctahedra that share corners with twelve equivalent Yb(1)Yb8Nb4 cuboctahedra, edges with eight equivalent Yb(1)Yb8Nb4 cuboctahedra, edges with eight equivalent Yb(2)Yb8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)Yb8Nb4 cuboctahedra, faces with four equivalent Nb(1)Yb12 cuboctahedra, and faces with ten equivalent Yb(1)Yb8Nb4 cuboctahedra. In the second Yb site, Yb(2) is bonded to eight equivalent Yb(1) and four equivalent Nb(1) atoms to form YbYb8Nb4 cuboctahedra that share corners with four equivalent Yb(2)Yb8Nb4 cuboctahedra, corners with eight equivalent Nb(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)Yb8Nb4 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8Nb4 cuboctahedra, faces with four equivalent Yb(2)Yb8Nb4 cuboctahedra, faces with six equivalent Nb(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)Yb8Nb4 cuboctahedra. Nb(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form NbYb12 cuboctahedra that share corners with four equivalent Nb(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)Yb8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8Nb4 cuboctahedra, faces with four equivalent Nb(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)Yb8Nb4 cuboctahedra, and faces with eight equivalent Yb(1)Yb8Nb4 cuboctahedra. is represented by the CIF card [CIF]
data_Yb3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.005
_cell_length_b   6.005
_cell_length_c   6.005
_cell_angle_alpha   130.589
_cell_angle_beta   130.589
_cell_angle_gamma   72.467
_symmetry_Int_Tables_number   1
_cell_volume   122.059
_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
  Yb  Yb0  1  0.750  0.250  0.500  1.0
  Yb  Yb1  1  0.250  0.750  0.500  1.0
  Yb  Yb2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Yb3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent Yb(1), four equivalent Yb(2), and four equivalent Nb(1) atoms to form distorted YbYb8Nb4 cuboctahedra that share corners with twelve equivalent Yb(1)Yb8Nb4 cuboctahedra, edges with eight equivalent Yb(1)Yb8Nb4 cuboctahedra, edges with eight equivalent Yb(2)Yb8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)Yb8Nb4 cuboctahedra, faces with four equivalent Nb(1)Yb12 cuboctahedra, and faces with ten equivalent Yb(1)Yb8Nb4 cuboctahedra. In the second Yb site, Yb(2) is bonded to eight equivalent Yb(1) and four equivalent Nb(1) atoms to form YbYb8Nb4 cuboctahedra that share corners with four equivalent Yb(2)Yb8Nb4 cuboctahedra, corners with eight equivalent Nb(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)Yb8Nb4 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8Nb4 cuboctahedra, faces with four equivalent Yb(2)Yb8Nb4 cuboctahedra, faces with six equivalent Nb(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)Yb8Nb4 cuboctahedra. Nb(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form NbYb12 cuboctahedra that share corners with four equivalent Nb(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)Yb8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8Nb4 cuboctahedra, faces with four equivalent Nb(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)Yb8Nb4 cuboctahedra, and faces with eight equivalent Yb(1)Yb8Nb4 cuboctahedra. is represented by the CIF card [CIF]
data_Yb3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.005
_cell_length_b   6.005
_cell_length_c   6.005
_cell_angle_alpha   130.589
_cell_angle_beta   130.589
_cell_angle_gamma   72.467
_symmetry_Int_Tables_number   1
_cell_volume   122.059
_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
  Yb  Yb0  1  0.750  0.250  0.500  1.0
  Yb  Yb1  1  0.250  0.750  0.500  1.0
  Yb  Yb2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
[/CIF]
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