The material structure described by Nb5Ga3 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(1) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. Ga(1) 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_Nb5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.795
_cell_length_b   7.795
_cell_length_c   5.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.880
_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  0.667  0.333  0.000  1.0
  Nb  Nb1  1  0.333  0.667  0.000  1.0
  Nb  Nb2  1  0.333  0.667  0.500  1.0
  Nb  Nb3  1  0.667  0.333  0.500  1.0
  Nb  Nb4  1  0.756  0.756  0.750  1.0
  Nb  Nb5  1  0.244  0.000  0.750  1.0
  Nb  Nb6  1  0.000  0.244  0.750  1.0
  Nb  Nb7  1  0.244  0.244  0.250  1.0
  Nb  Nb8  1  0.756  0.000  0.250  1.0
  Nb  Nb9  1  0.000  0.756  0.250  1.0
  Ga  Ga10  1  0.395  0.395  0.750  1.0
  Ga  Ga11  1  0.605  0.000  0.750  1.0
  Ga  Ga12  1  0.000  0.605  0.750  1.0
  Ga  Ga13  1  0.605  0.605  0.250  1.0
  Ga  Ga14  1  0.395  0.000  0.250  1.0
  Ga  Ga15  1  0.000  0.395  0.250  1.0
[/CIF]
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The material structure described by Nb5Ga3 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(1) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. Ga(1) 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_Nb5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.795
_cell_length_b   7.795
_cell_length_c   5.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.880
_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  0.667  0.333  0.000  1.0
  Nb  Nb1  1  0.333  0.667  0.000  1.0
  Nb  Nb2  1  0.333  0.667  0.500  1.0
  Nb  Nb3  1  0.667  0.333  0.500  1.0
  Nb  Nb4  1  0.756  0.756  0.750  1.0
  Nb  Nb5  1  0.244  0.000  0.750  1.0
  Nb  Nb6  1  0.000  0.244  0.750  1.0
  Nb  Nb7  1  0.244  0.244  0.250  1.0
  Nb  Nb8  1  0.756  0.000  0.250  1.0
  Nb  Nb9  1  0.000  0.756  0.250  1.0
  Ga  Ga10  1  0.395  0.395  0.750  1.0
  Ga  Ga11  1  0.605  0.000  0.750  1.0
  Ga  Ga12  1  0.000  0.605  0.750  1.0
  Ga  Ga13  1  0.605  0.605  0.250  1.0
  Ga  Ga14  1  0.395  0.000  0.250  1.0
  Ga  Ga15  1  0.000  0.395  0.250  1.0
[/CIF]
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