The crystal structure described by Fe3SnSb crystallizes in the trigonal P3m1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(3), two equivalent Sn(1), and three equivalent Sb(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(3), three equivalent Sn(1), and two equivalent Sb(1) atoms. In the third Fe site, Fe(3) is bonded to three equivalent Fe(1), three equivalent Fe(2), three equivalent Sn(1), and three equivalent Sb(1) atoms to form face-sharing FeFe6Sn3Sb3 cuboctahedra. Sn(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Sb(1) atoms. Sb(1) is bonded in a 11-coordinate geometry to two equivalent Fe(2), three equivalent Fe(1), three equivalent Fe(3), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Fe3SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.209
_cell_length_b   4.211
_cell_length_c   5.400
_cell_angle_alpha   90.000
_cell_angle_beta   89.975
_cell_angle_gamma   59.986
_symmetry_Int_Tables_number   1
_cell_volume   82.882
_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
  Fe  Fe0  1  0.333  0.333  0.339  1.0
  Fe  Fe1  1  0.667  0.667  0.658  1.0
  Fe  Fe2  1  1.000  0.000  0.502  1.0
  Sn  Sn3  1  0.333  0.333  0.821  1.0
  Sb  Sb4  1  0.667  0.667  0.180  1.0
[/CIF]
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The crystal structure described by Fe3SnSb crystallizes in the trigonal P3m1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(3), two equivalent Sn(1), and three equivalent Sb(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(3), three equivalent Sn(1), and two equivalent Sb(1) atoms. In the third Fe site, Fe(3) is bonded to three equivalent Fe(1), three equivalent Fe(2), three equivalent Sn(1), and three equivalent Sb(1) atoms to form face-sharing FeFe6Sn3Sb3 cuboctahedra. Sn(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Sb(1) atoms. Sb(1) is bonded in a 11-coordinate geometry to two equivalent Fe(2), three equivalent Fe(1), three equivalent Fe(3), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Fe3SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.209
_cell_length_b   4.211
_cell_length_c   5.400
_cell_angle_alpha   90.000
_cell_angle_beta   89.975
_cell_angle_gamma   59.986
_symmetry_Int_Tables_number   1
_cell_volume   82.882
_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
  Fe  Fe0  1  0.333  0.333  0.339  1.0
  Fe  Fe1  1  0.667  0.667  0.658  1.0
  Fe  Fe2  1  1.000  0.000  0.502  1.0
  Sn  Sn3  1  0.333  0.333  0.821  1.0
  Sb  Sb4  1  0.667  0.667  0.180  1.0
[/CIF]
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