The crystal structure described by Nb5Sb4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. In the second Nb site, Nb(2) is bonded in a body-centered cubic geometry to eight equivalent Sb(1) atoms. Sb(1) is bonded in a 7-coordinate geometry to two equivalent Nb(2) and five equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Nb5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.573
_cell_length_b   7.573
_cell_length_c   7.573
_cell_angle_alpha   92.878
_cell_angle_beta   92.878
_cell_angle_gamma   154.105
_symmetry_Int_Tables_number   1
_cell_volume   184.845
_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
  Nb  Nb0  1  0.954  0.656  0.609  1.0
  Nb  Nb1  1  0.344  0.954  0.298  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.046  0.344  0.391  1.0
  Nb  Nb4  1  0.656  0.046  0.702  1.0
  Sb  Sb5  1  0.635  0.322  0.958  1.0
  Sb  Sb6  1  0.678  0.635  0.313  1.0
  Sb  Sb7  1  0.365  0.678  0.042  1.0
  Sb  Sb8  1  0.322  0.365  0.687  1.0
[/CIF]
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The crystal structure described by Nb5Sb4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. In the second Nb site, Nb(2) is bonded in a body-centered cubic geometry to eight equivalent Sb(1) atoms. Sb(1) is bonded in a 7-coordinate geometry to two equivalent Nb(2) and five equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Nb5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.573
_cell_length_b   7.573
_cell_length_c   7.573
_cell_angle_alpha   92.878
_cell_angle_beta   92.878
_cell_angle_gamma   154.105
_symmetry_Int_Tables_number   1
_cell_volume   184.845
_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
  Nb  Nb0  1  0.954  0.656  0.609  1.0
  Nb  Nb1  1  0.344  0.954  0.298  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.046  0.344  0.391  1.0
  Nb  Nb4  1  0.656  0.046  0.702  1.0
  Sb  Sb5  1  0.635  0.322  0.958  1.0
  Sb  Sb6  1  0.678  0.635  0.313  1.0
  Sb  Sb7  1  0.365  0.678  0.042  1.0
  Sb  Sb8  1  0.322  0.365  0.687  1.0
[/CIF]
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