The structure described by Nb5Sn2Si 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 four equivalent Sn(1) and two equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nb(2) and eight equivalent Nb(1) atoms. Si(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Nb5SiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   7.959
_cell_length_c   7.959
_cell_angle_alpha   83.992
_cell_angle_beta   71.124
_cell_angle_gamma   71.124
_symmetry_Int_Tables_number   1
_cell_volume   292.115
_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  0.711  0.859  0.720  1.0
  Nb  Nb1  1  0.930  0.859  0.280  1.0
  Nb  Nb2  1  0.289  0.141  0.280  1.0
  Nb  Nb3  1  0.250  0.500  0.500  1.0
  Nb  Nb4  1  0.430  0.280  0.859  1.0
  Nb  Nb5  1  0.570  0.720  0.141  1.0
  Nb  Nb6  1  0.750  0.500  0.500  1.0
  Nb  Nb7  1  0.789  0.280  0.141  1.0
  Nb  Nb8  1  0.070  0.141  0.720  1.0
  Nb  Nb9  1  0.211  0.720  0.859  1.0
  Si  Si10  1  0.750  0.000  0.000  1.0
  Si  Si11  1  0.250  0.000  0.000  1.0
  Sn  Sn12  1  0.669  0.162  0.500  1.0
  Sn  Sn13  1  0.831  0.500  0.838  1.0
  Sn  Sn14  1  0.331  0.838  0.500  1.0
  Sn  Sn15  1  0.169  0.500  0.162  1.0
[/CIF]
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The structure described by Nb5Sn2Si 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 four equivalent Sn(1) and two equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nb(2) and eight equivalent Nb(1) atoms. Si(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Nb5SiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   7.959
_cell_length_c   7.959
_cell_angle_alpha   83.992
_cell_angle_beta   71.124
_cell_angle_gamma   71.124
_symmetry_Int_Tables_number   1
_cell_volume   292.115
_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  0.711  0.859  0.720  1.0
  Nb  Nb1  1  0.930  0.859  0.280  1.0
  Nb  Nb2  1  0.289  0.141  0.280  1.0
  Nb  Nb3  1  0.250  0.500  0.500  1.0
  Nb  Nb4  1  0.430  0.280  0.859  1.0
  Nb  Nb5  1  0.570  0.720  0.141  1.0
  Nb  Nb6  1  0.750  0.500  0.500  1.0
  Nb  Nb7  1  0.789  0.280  0.141  1.0
  Nb  Nb8  1  0.070  0.141  0.720  1.0
  Nb  Nb9  1  0.211  0.720  0.859  1.0
  Si  Si10  1  0.750  0.000  0.000  1.0
  Si  Si11  1  0.250  0.000  0.000  1.0
  Sn  Sn12  1  0.669  0.162  0.500  1.0
  Sn  Sn13  1  0.831  0.500  0.838  1.0
  Sn  Sn14  1  0.331  0.838  0.500  1.0
  Sn  Sn15  1  0.169  0.500  0.162  1.0
[/CIF]
.