The material structure described by Re3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to eight equivalent Re(1) and four equivalent Sn(1) atoms to form ReRe8Sn4 cuboctahedra that share corners with four equivalent Sn(1)Re12 cuboctahedra, corners with fourteen equivalent Re(1)Re8Sn4 cuboctahedra, edges with six equivalent Sn(1)Re12 cuboctahedra, edges with twelve equivalent Re(1)Re8Sn4 cuboctahedra, faces with four equivalent Sn(1)Re12 cuboctahedra, and faces with sixteen equivalent Re(1)Re8Sn4 cuboctahedra. Sn(1) is bonded to twelve equivalent Re(1) atoms to form SnRe12 cuboctahedra that share corners with six equivalent Sn(1)Re12 cuboctahedra, corners with twelve equivalent Re(1)Re8Sn4 cuboctahedra, edges with eighteen equivalent Re(1)Re8Sn4 cuboctahedra, faces with eight equivalent Sn(1)Re12 cuboctahedra, and faces with twelve equivalent Re(1)Re8Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.727
_cell_length_b   5.727
_cell_length_c   4.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.144
_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
  Re  Re0  1  0.164  0.329  0.250  1.0
  Re  Re1  1  0.671  0.836  0.250  1.0
  Re  Re2  1  0.164  0.836  0.250  1.0
  Re  Re3  1  0.836  0.671  0.750  1.0
  Re  Re4  1  0.329  0.164  0.750  1.0
  Re  Re5  1  0.836  0.164  0.750  1.0
  Sn  Sn6  1  0.333  0.667  0.750  1.0
  Sn  Sn7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Re3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to eight equivalent Re(1) and four equivalent Sn(1) atoms to form ReRe8Sn4 cuboctahedra that share corners with four equivalent Sn(1)Re12 cuboctahedra, corners with fourteen equivalent Re(1)Re8Sn4 cuboctahedra, edges with six equivalent Sn(1)Re12 cuboctahedra, edges with twelve equivalent Re(1)Re8Sn4 cuboctahedra, faces with four equivalent Sn(1)Re12 cuboctahedra, and faces with sixteen equivalent Re(1)Re8Sn4 cuboctahedra. Sn(1) is bonded to twelve equivalent Re(1) atoms to form SnRe12 cuboctahedra that share corners with six equivalent Sn(1)Re12 cuboctahedra, corners with twelve equivalent Re(1)Re8Sn4 cuboctahedra, edges with eighteen equivalent Re(1)Re8Sn4 cuboctahedra, faces with eight equivalent Sn(1)Re12 cuboctahedra, and faces with twelve equivalent Re(1)Re8Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.727
_cell_length_b   5.727
_cell_length_c   4.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.144
_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
  Re  Re0  1  0.164  0.329  0.250  1.0
  Re  Re1  1  0.671  0.836  0.250  1.0
  Re  Re2  1  0.164  0.836  0.250  1.0
  Re  Re3  1  0.836  0.671  0.750  1.0
  Re  Re4  1  0.329  0.164  0.750  1.0
  Re  Re5  1  0.836  0.164  0.750  1.0
  Sn  Sn6  1  0.333  0.667  0.750  1.0
  Sn  Sn7  1  0.667  0.333  0.250  1.0
[/CIF]
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