The material described by Fe2Sn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), and six equivalent Sn(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent Fe(1) and five equivalent Sn(1) atoms to form a mixture of distorted face and corner-sharing FeFe6Sn5 trigonal bipyramids. Sn(1) is bonded in a 11-coordinate geometry to five equivalent Fe(2) and six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.412
_cell_length_b   4.412
_cell_length_c   5.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.779
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.333  0.667  0.250  1.0
  Fe  Fe3  1  0.667  0.333  0.750  1.0
  Sn  Sn4  1  0.333  0.667  0.750  1.0
  Sn  Sn5  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Fe2Sn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), and six equivalent Sn(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent Fe(1) and five equivalent Sn(1) atoms to form a mixture of distorted face and corner-sharing FeFe6Sn5 trigonal bipyramids. Sn(1) is bonded in a 11-coordinate geometry to five equivalent Fe(2) and six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.412
_cell_length_b   4.412
_cell_length_c   5.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.779
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.333  0.667  0.250  1.0
  Fe  Fe3  1  0.667  0.333  0.750  1.0
  Sn  Sn4  1  0.333  0.667  0.750  1.0
  Sn  Sn5  1  0.667  0.333  0.250  1.0
[/CIF]
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