The crystal structure described by Nb5Sn2Ga crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Sn(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Ga(1) and four equivalent Sn(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(2) and two equivalent Ga(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1) and eight equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_Nb5GaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.182
_cell_length_b   7.994
_cell_length_c   7.994
_cell_angle_alpha   83.970
_cell_angle_beta   71.088
_cell_angle_gamma   71.088
_symmetry_Int_Tables_number   1
_cell_volume   296.317
_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  0.250  0.500  0.500  1.0
  Nb  Nb1  1  0.750  0.500  0.500  1.0
  Nb  Nb2  1  0.071  0.146  0.712  1.0
  Nb  Nb3  1  0.783  0.288  0.146  1.0
  Nb  Nb4  1  0.217  0.712  0.854  1.0
  Nb  Nb5  1  0.929  0.854  0.288  1.0
  Nb  Nb6  1  0.283  0.146  0.288  1.0
  Nb  Nb7  1  0.717  0.854  0.712  1.0
  Nb  Nb8  1  0.429  0.288  0.854  1.0
  Nb  Nb9  1  0.571  0.712  0.146  1.0
  Ga  Ga10  1  0.250  0.000  0.000  1.0
  Ga  Ga11  1  0.750  0.000  0.000  1.0
  Sn  Sn12  1  0.168  0.500  0.163  1.0
  Sn  Sn13  1  0.332  0.837  0.500  1.0
  Sn  Sn14  1  0.668  0.163  0.500  1.0
  Sn  Sn15  1  0.832  0.500  0.837  1.0
[/CIF]
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The crystal structure described by Nb5Sn2Ga crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Sn(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Ga(1) and four equivalent Sn(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(2) and two equivalent Ga(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1) and eight equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_Nb5GaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.182
_cell_length_b   7.994
_cell_length_c   7.994
_cell_angle_alpha   83.970
_cell_angle_beta   71.088
_cell_angle_gamma   71.088
_symmetry_Int_Tables_number   1
_cell_volume   296.317
_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  0.250  0.500  0.500  1.0
  Nb  Nb1  1  0.750  0.500  0.500  1.0
  Nb  Nb2  1  0.071  0.146  0.712  1.0
  Nb  Nb3  1  0.783  0.288  0.146  1.0
  Nb  Nb4  1  0.217  0.712  0.854  1.0
  Nb  Nb5  1  0.929  0.854  0.288  1.0
  Nb  Nb6  1  0.283  0.146  0.288  1.0
  Nb  Nb7  1  0.717  0.854  0.712  1.0
  Nb  Nb8  1  0.429  0.288  0.854  1.0
  Nb  Nb9  1  0.571  0.712  0.146  1.0
  Ga  Ga10  1  0.250  0.000  0.000  1.0
  Ga  Ga11  1  0.750  0.000  0.000  1.0
  Sn  Sn12  1  0.168  0.500  0.163  1.0
  Sn  Sn13  1  0.332  0.837  0.500  1.0
  Sn  Sn14  1  0.668  0.163  0.500  1.0
  Sn  Sn15  1  0.832  0.500  0.837  1.0
[/CIF]
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