The compound described by V3Sn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to eight V(1,1) and four equivalent Sn(1) atoms to form distorted VV8Sn4 cuboctahedra that share corners with four equivalent Sn(1)V12 cuboctahedra; corners with fourteen V(1,1)V8Sn4 cuboctahedra; edges with six equivalent Sn(1)V12 cuboctahedra; edges with twelve V(1,1)V8Sn4 cuboctahedra; faces with four equivalent Sn(1)V12 cuboctahedra; and faces with sixteen V(1,1)V8Sn4 cuboctahedra. In the second V site, V(1) is bonded to eight equivalent V(1) and four equivalent Sn(1) atoms to form distorted VV8Sn4 cuboctahedra that share corners with four equivalent Sn(1)V12 cuboctahedra; corners with fourteen V(1,1)V8Sn4 cuboctahedra; edges with six equivalent Sn(1)V12 cuboctahedra; edges with twelve equivalent V(1)V8Sn4 cuboctahedra; faces with four equivalent Sn(1)V12 cuboctahedra; and faces with sixteen V(1,1)V8Sn4 cuboctahedra. Sn(1) is bonded to twelve V(1,1) atoms to form SnV12 cuboctahedra that share corners with six equivalent Sn(1)V12 cuboctahedra; corners with twelve V(1,1)V8Sn4 cuboctahedra; edges with eighteen V(1,1)V8Sn4 cuboctahedra; faces with eight equivalent Sn(1)V12 cuboctahedra; and faces with twelve V(1,1)V8Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_V3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.601
_cell_length_b   5.601
_cell_length_c   4.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   121.979
_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
  V  V0  1  0.150  0.299  0.750  1.0
  V  V1  1  0.850  0.150  0.250  1.0
  V  V2  1  0.850  0.701  0.250  1.0
  V  V3  1  0.150  0.850  0.750  1.0
  V  V4  1  0.701  0.850  0.750  1.0
  V  V5  1  0.299  0.150  0.250  1.0
  Sn  Sn6  1  0.667  0.333  0.750  1.0
  Sn  Sn7  1  0.333  0.667  0.250  1.0
[/CIF]
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The compound described by V3Sn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to eight V(1,1) and four equivalent Sn(1) atoms to form distorted VV8Sn4 cuboctahedra that share corners with four equivalent Sn(1)V12 cuboctahedra; corners with fourteen V(1,1)V8Sn4 cuboctahedra; edges with six equivalent Sn(1)V12 cuboctahedra; edges with twelve V(1,1)V8Sn4 cuboctahedra; faces with four equivalent Sn(1)V12 cuboctahedra; and faces with sixteen V(1,1)V8Sn4 cuboctahedra. In the second V site, V(1) is bonded to eight equivalent V(1) and four equivalent Sn(1) atoms to form distorted VV8Sn4 cuboctahedra that share corners with four equivalent Sn(1)V12 cuboctahedra; corners with fourteen V(1,1)V8Sn4 cuboctahedra; edges with six equivalent Sn(1)V12 cuboctahedra; edges with twelve equivalent V(1)V8Sn4 cuboctahedra; faces with four equivalent Sn(1)V12 cuboctahedra; and faces with sixteen V(1,1)V8Sn4 cuboctahedra. Sn(1) is bonded to twelve V(1,1) atoms to form SnV12 cuboctahedra that share corners with six equivalent Sn(1)V12 cuboctahedra; corners with twelve V(1,1)V8Sn4 cuboctahedra; edges with eighteen V(1,1)V8Sn4 cuboctahedra; faces with eight equivalent Sn(1)V12 cuboctahedra; and faces with twelve V(1,1)V8Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_V3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.601
_cell_length_b   5.601
_cell_length_c   4.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   121.979
_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
  V  V0  1  0.150  0.299  0.750  1.0
  V  V1  1  0.850  0.150  0.250  1.0
  V  V2  1  0.850  0.701  0.250  1.0
  V  V3  1  0.150  0.850  0.750  1.0
  V  V4  1  0.701  0.850  0.750  1.0
  V  V5  1  0.299  0.150  0.250  1.0
  Sn  Sn6  1  0.667  0.333  0.750  1.0
  Sn  Sn7  1  0.333  0.667  0.250  1.0
[/CIF]
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