The compound described by Nb5Sb4 is Titanium telluride structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Nb(2), four equivalent Nb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted face-sharing NbNb8Sb4 cuboctahedra. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to two equivalent Nb(1), two equivalent Sb(2), and three equivalent Sb(1) atoms. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to two equivalent Nb(1), two equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Nb(3), and three equivalent Nb(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Nb(2), and three equivalent Nb(3) atoms. is represented by the CIF file [CIF]
data_Nb5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.585
_cell_length_b   7.577
_cell_length_c   7.578
_cell_angle_alpha   86.943
_cell_angle_beta   76.335
_cell_angle_gamma   76.338
_symmetry_Int_Tables_number   1
_cell_volume   194.342
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.312  0.062  0.316  1.0
  Nb  Nb2  1  0.627  0.683  0.062  1.0
  Nb  Nb3  1  0.373  0.317  0.938  1.0
  Nb  Nb4  1  0.688  0.938  0.684  1.0
  Sb  Sb5  1  0.054  0.237  0.655  1.0
  Sb  Sb6  1  0.709  0.346  0.238  1.0
  Sb  Sb7  1  0.291  0.654  0.762  1.0
  Sb  Sb8  1  0.946  0.763  0.345  1.0
[/CIF]
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The compound described by Nb5Sb4 is Titanium telluride structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Nb(2), four equivalent Nb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted face-sharing NbNb8Sb4 cuboctahedra. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to two equivalent Nb(1), two equivalent Sb(2), and three equivalent Sb(1) atoms. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to two equivalent Nb(1), two equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Nb(3), and three equivalent Nb(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Nb(2), and three equivalent Nb(3) atoms. is represented by the CIF file [CIF]
data_Nb5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.585
_cell_length_b   7.577
_cell_length_c   7.578
_cell_angle_alpha   86.943
_cell_angle_beta   76.335
_cell_angle_gamma   76.338
_symmetry_Int_Tables_number   1
_cell_volume   194.342
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.312  0.062  0.316  1.0
  Nb  Nb2  1  0.627  0.683  0.062  1.0
  Nb  Nb3  1  0.373  0.317  0.938  1.0
  Nb  Nb4  1  0.688  0.938  0.684  1.0
  Sb  Sb5  1  0.054  0.237  0.655  1.0
  Sb  Sb6  1  0.709  0.346  0.238  1.0
  Sb  Sb7  1  0.291  0.654  0.762  1.0
  Sb  Sb8  1  0.946  0.763  0.345  1.0
[/CIF]
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