The structure described by Nb6AlSb crystallizes in the cubic Pm-3 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. In the second Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. In the third Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. In the fourth Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. Al(1) is bonded to twelve Nb(1,1,1,1) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra and faces with eight equivalent Sb(1)Nb12 cuboctahedra. Sb(1) is bonded to twelve Nb(1,1,1,1) atoms to form SbNb12 cuboctahedra that share edges with six equivalent Sb(1)Nb12 cuboctahedra and faces with eight equivalent Al(1)Nb12 cuboctahedra. is represented by the CIF card [CIF]
data_Nb6AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.264
_cell_length_c   5.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.888
_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  0.500  0.750  1.0
  Nb  Nb1  1  0.500  0.250  0.000  1.0
  Nb  Nb2  1  0.750  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.250  1.0
  Nb  Nb4  1  0.500  0.750  0.000  1.0
  Nb  Nb5  1  0.250  0.000  0.500  1.0
  Al  Al6  1  0.500  0.500  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Nb6AlSb crystallizes in the cubic Pm-3 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. In the second Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. In the third Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. In the fourth Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1); two equivalent Al(1); and two equivalent Sb(1) atoms. Al(1) is bonded to twelve Nb(1,1,1,1) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra and faces with eight equivalent Sb(1)Nb12 cuboctahedra. Sb(1) is bonded to twelve Nb(1,1,1,1) atoms to form SbNb12 cuboctahedra that share edges with six equivalent Sb(1)Nb12 cuboctahedra and faces with eight equivalent Al(1)Nb12 cuboctahedra. is represented by the CIF card [CIF]
data_Nb6AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.264
_cell_length_c   5.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.888
_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  0.500  0.750  1.0
  Nb  Nb1  1  0.500  0.250  0.000  1.0
  Nb  Nb2  1  0.750  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.250  1.0
  Nb  Nb4  1  0.500  0.750  0.000  1.0
  Nb  Nb5  1  0.250  0.000  0.500  1.0
  Al  Al6  1  0.500  0.500  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
[/CIF]
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