The structure described by Nb5Ga4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1) and six equivalent Ga(2) atoms. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to two equivalent Ga(1) and five equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Nb(2) atoms to form distorted face-sharing GaNb6 octahedra. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1) and five equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_Nb5Ga4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.975
_cell_length_b   7.975
_cell_length_c   5.456
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   300.566
_cell_formula_units_Z   2
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  0.333  0.667  0.000  1.0
  Nb  Nb1  1  0.667  0.333  0.500  1.0
  Nb  Nb2  1  0.667  0.333  0.000  1.0
  Nb  Nb3  1  0.333  0.667  0.500  1.0
  Nb  Nb4  1  0.280  0.000  0.250  1.0
  Nb  Nb5  1  0.280  0.280  0.750  1.0
  Nb  Nb6  1  0.000  0.720  0.750  1.0
  Nb  Nb7  1  0.000  0.280  0.250  1.0
  Nb  Nb8  1  0.720  0.720  0.250  1.0
  Nb  Nb9  1  0.720  0.000  0.750  1.0
  Ga  Ga10  1  0.000  0.000  0.000  1.0
  Ga  Ga11  1  0.000  0.000  0.500  1.0
  Ga  Ga12  1  0.616  0.000  0.250  1.0
  Ga  Ga13  1  0.616  0.616  0.750  1.0
  Ga  Ga14  1  0.000  0.384  0.750  1.0
  Ga  Ga15  1  0.000  0.616  0.250  1.0
  Ga  Ga16  1  0.384  0.384  0.250  1.0
  Ga  Ga17  1  0.384  0.000  0.750  1.0
[/CIF]
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The structure described by Nb5Ga4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1) and six equivalent Ga(2) atoms. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to two equivalent Ga(1) and five equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Nb(2) atoms to form distorted face-sharing GaNb6 octahedra. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1) and five equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_Nb5Ga4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.975
_cell_length_b   7.975
_cell_length_c   5.456
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   300.566
_cell_formula_units_Z   2
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  0.333  0.667  0.000  1.0
  Nb  Nb1  1  0.667  0.333  0.500  1.0
  Nb  Nb2  1  0.667  0.333  0.000  1.0
  Nb  Nb3  1  0.333  0.667  0.500  1.0
  Nb  Nb4  1  0.280  0.000  0.250  1.0
  Nb  Nb5  1  0.280  0.280  0.750  1.0
  Nb  Nb6  1  0.000  0.720  0.750  1.0
  Nb  Nb7  1  0.000  0.280  0.250  1.0
  Nb  Nb8  1  0.720  0.720  0.250  1.0
  Nb  Nb9  1  0.720  0.000  0.750  1.0
  Ga  Ga10  1  0.000  0.000  0.000  1.0
  Ga  Ga11  1  0.000  0.000  0.500  1.0
  Ga  Ga12  1  0.616  0.000  0.250  1.0
  Ga  Ga13  1  0.616  0.616  0.750  1.0
  Ga  Ga14  1  0.000  0.384  0.750  1.0
  Ga  Ga15  1  0.000  0.616  0.250  1.0
  Ga  Ga16  1  0.384  0.384  0.250  1.0
  Ga  Ga17  1  0.384  0.000  0.750  1.0
[/CIF]
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