The compound described by Nb6GaAl crystallizes in the cubic Pm-3 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1); two equivalent Ga(1); and two equivalent Al(1) atoms. In the second Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1); two equivalent Ga(1); and two equivalent Al(1) atoms. In the third Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1); two equivalent Ga(1); and two equivalent Al(1) atoms. Ga(1) is bonded to twelve Nb(1,1,1) atoms to form GaNb12 cuboctahedra that share edges with six equivalent Ga(1)Nb12 cuboctahedra and faces with eight equivalent Al(1)Nb12 cuboctahedra. Al(1) is bonded to twelve Nb(1,1,1) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra and faces with eight equivalent Ga(1)Nb12 cuboctahedra. is represented by the CIF file [CIF]
data_Nb6AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.200
_cell_length_b   5.200
_cell_length_c   5.200
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.627
_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  0.745  1.0
  Nb  Nb1  1  0.500  0.255  0.000  1.0
  Nb  Nb2  1  0.745  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.255  1.0
  Nb  Nb4  1  0.500  0.745  0.000  1.0
  Nb  Nb5  1  0.255  0.000  0.500  1.0
  Al  Al6  1  0.500  0.500  0.500  1.0
  Ga  Ga7  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Nb6GaAl crystallizes in the cubic Pm-3 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1,1); two equivalent Ga(1); and two equivalent Al(1) atoms. In the second Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1); two equivalent Ga(1); and two equivalent Al(1) atoms. In the third Nb site, Nb(1) is bonded in a 14-coordinate geometry to ten Nb(1,1); two equivalent Ga(1); and two equivalent Al(1) atoms. Ga(1) is bonded to twelve Nb(1,1,1) atoms to form GaNb12 cuboctahedra that share edges with six equivalent Ga(1)Nb12 cuboctahedra and faces with eight equivalent Al(1)Nb12 cuboctahedra. Al(1) is bonded to twelve Nb(1,1,1) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra and faces with eight equivalent Ga(1)Nb12 cuboctahedra. is represented by the CIF file [CIF]
data_Nb6AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.200
_cell_length_b   5.200
_cell_length_c   5.200
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.627
_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  0.745  1.0
  Nb  Nb1  1  0.500  0.255  0.000  1.0
  Nb  Nb2  1  0.745  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.255  1.0
  Nb  Nb4  1  0.500  0.745  0.000  1.0
  Nb  Nb5  1  0.255  0.000  0.500  1.0
  Al  Al6  1  0.500  0.500  0.500  1.0
  Ga  Ga7  1  0.000  0.000  0.000  1.0
[/CIF]
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