The compound described by TaSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve equivalent Sn(1) atoms to form TaSn12 cuboctahedra that share corners with six equivalent Ta(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Ta4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Ta4Sn8 cuboctahedra, faces with eight equivalent Ta(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Ta4Sn8 cuboctahedra. Sn(1) is bonded to four equivalent Ta(1) and eight equivalent Sn(1) atoms to form distorted SnTa4Sn8 cuboctahedra that share corners with four equivalent Ta(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Ta4Sn8 cuboctahedra, edges with six equivalent Ta(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Ta4Sn8 cuboctahedra, faces with four equivalent Ta(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Ta4Sn8 cuboctahedra. is represented by the CIF file [CIF]
data_TaSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   6.292
_cell_length_c   5.406
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.313
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Sn  Sn2  1  0.174  0.348  0.250  1.0
  Sn  Sn3  1  0.652  0.826  0.250  1.0
  Sn  Sn4  1  0.174  0.826  0.250  1.0
  Sn  Sn5  1  0.826  0.652  0.750  1.0
  Sn  Sn6  1  0.348  0.174  0.750  1.0
  Sn  Sn7  1  0.826  0.174  0.750  1.0
[/CIF]
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The compound described by TaSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve equivalent Sn(1) atoms to form TaSn12 cuboctahedra that share corners with six equivalent Ta(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Ta4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Ta4Sn8 cuboctahedra, faces with eight equivalent Ta(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Ta4Sn8 cuboctahedra. Sn(1) is bonded to four equivalent Ta(1) and eight equivalent Sn(1) atoms to form distorted SnTa4Sn8 cuboctahedra that share corners with four equivalent Ta(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Ta4Sn8 cuboctahedra, edges with six equivalent Ta(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Ta4Sn8 cuboctahedra, faces with four equivalent Ta(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Ta4Sn8 cuboctahedra. is represented by the CIF file [CIF]
data_TaSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   6.292
_cell_length_c   5.406
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.313
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Sn  Sn2  1  0.174  0.348  0.250  1.0
  Sn  Sn3  1  0.652  0.826  0.250  1.0
  Sn  Sn4  1  0.174  0.826  0.250  1.0
  Sn  Sn5  1  0.826  0.652  0.750  1.0
  Sn  Sn6  1  0.348  0.174  0.750  1.0
  Sn  Sn7  1  0.826  0.174  0.750  1.0
[/CIF]
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