The compound described by BiSn3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a square co-planar geometry to four equivalent Bi(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Sn(2) and four equivalent Bi(1) atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with four equivalent Bi(1)Sn12 cuboctahedra, edges with six equivalent Sn(2)Sn4Bi4 cuboctahedra, and faces with four equivalent Sn(2)Sn4Bi4 cuboctahedra. Bi(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(2) atoms to form BiSn12 cuboctahedra that share corners with four equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Bi(1)Sn12 cuboctahedra, and faces with four equivalent Bi(1)Sn12 cuboctahedra. is represented by the CIF file [CIF]
data_Sn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.242
_cell_length_b   6.242
_cell_length_c   6.242
_cell_angle_alpha   135.746
_cell_angle_beta   135.746
_cell_angle_gamma   64.373
_symmetry_Int_Tables_number   1
_cell_volume   116.828
_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
  Sn  Sn0  1  0.500  0.500  0.000  1.0
  Sn  Sn1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.750  0.250  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by BiSn3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a square co-planar geometry to four equivalent Bi(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Sn(2) and four equivalent Bi(1) atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with four equivalent Bi(1)Sn12 cuboctahedra, edges with six equivalent Sn(2)Sn4Bi4 cuboctahedra, and faces with four equivalent Sn(2)Sn4Bi4 cuboctahedra. Bi(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(2) atoms to form BiSn12 cuboctahedra that share corners with four equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Bi(1)Sn12 cuboctahedra, and faces with four equivalent Bi(1)Sn12 cuboctahedra. is represented by the CIF file [CIF]
data_Sn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.242
_cell_length_b   6.242
_cell_length_c   6.242
_cell_angle_alpha   135.746
_cell_angle_beta   135.746
_cell_angle_gamma   64.373
_symmetry_Int_Tables_number   1
_cell_volume   116.828
_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
  Sn  Sn0  1  0.500  0.500  0.000  1.0
  Sn  Sn1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.750  0.250  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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