The material described by Na3Nb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Nb(1) atoms to form distorted NaNa8Nb4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Nb4 cuboctahedra, edges with eight equivalent Na(1)Na8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Na12 cuboctahedra, faces with four equivalent Nb(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Nb4 cuboctahedra. In the second Na site, Na(2) is bonded in a distorted square co-planar geometry to eight equivalent Na(1) and four equivalent Nb(1) atoms. Nb(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form NbNa12 cuboctahedra that share corners with four equivalent Nb(1)Na12 cuboctahedra, edges with eight equivalent Nb(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Nb4 cuboctahedra, faces with four equivalent Nb(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Nb4 cuboctahedra. is represented by the CIF file [CIF]
data_Na3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.185
_cell_length_b   6.185
_cell_length_c   6.185
_cell_angle_alpha   134.707
_cell_angle_beta   134.707
_cell_angle_gamma   65.986
_symmetry_Int_Tables_number   1
_cell_volume   117.695
_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
  Na  Na0  1  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Na3Nb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Nb(1) atoms to form distorted NaNa8Nb4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Nb4 cuboctahedra, edges with eight equivalent Na(1)Na8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Na12 cuboctahedra, faces with four equivalent Nb(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Nb4 cuboctahedra. In the second Na site, Na(2) is bonded in a distorted square co-planar geometry to eight equivalent Na(1) and four equivalent Nb(1) atoms. Nb(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form NbNa12 cuboctahedra that share corners with four equivalent Nb(1)Na12 cuboctahedra, edges with eight equivalent Nb(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Nb4 cuboctahedra, faces with four equivalent Nb(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Nb4 cuboctahedra. is represented by the CIF file [CIF]
data_Na3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.185
_cell_length_b   6.185
_cell_length_c   6.185
_cell_angle_alpha   134.707
_cell_angle_beta   134.707
_cell_angle_gamma   65.986
_symmetry_Int_Tables_number   1
_cell_volume   117.695
_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
  Na  Na0  1  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
[/CIF]
.