The material described by YbNb3 crystallizes in the hexagonal P6_3/mmc space group. Yb(1) is bonded to twelve Nb(1,1,1) atoms to form a mixture of face and corner-sharing YbNb12 cuboctahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Yb(1) and eight Nb(1,1,1) atoms. In the second Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Yb(1) and eight Nb(1,1) atoms. In the third Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Yb(1) and eight Nb(1,1) atoms. is represented by the CIF file [CIF]
data_YbNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.335
_cell_length_c   4.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   172.248
_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
  Nb  Nb2  1  0.147  0.295  0.250  1.0
  Nb  Nb3  1  0.705  0.853  0.250  1.0
  Nb  Nb4  1  0.147  0.853  0.250  1.0
  Nb  Nb5  1  0.853  0.705  0.750  1.0
  Nb  Nb6  1  0.295  0.147  0.750  1.0
  Nb  Nb7  1  0.853  0.147  0.750  1.0
[/CIF]
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The material described by YbNb3 crystallizes in the hexagonal P6_3/mmc space group. Yb(1) is bonded to twelve Nb(1,1,1) atoms to form a mixture of face and corner-sharing YbNb12 cuboctahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Yb(1) and eight Nb(1,1,1) atoms. In the second Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Yb(1) and eight Nb(1,1) atoms. In the third Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Yb(1) and eight Nb(1,1) atoms. is represented by the CIF file [CIF]
data_YbNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.335
_cell_length_c   4.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   172.248
_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
  Nb  Nb2  1  0.147  0.295  0.250  1.0
  Nb  Nb3  1  0.705  0.853  0.250  1.0
  Nb  Nb4  1  0.147  0.853  0.250  1.0
  Nb  Nb5  1  0.853  0.705  0.750  1.0
  Nb  Nb6  1  0.295  0.147  0.750  1.0
  Nb  Nb7  1  0.853  0.147  0.750  1.0
[/CIF]
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