The structure described by Cd3Bi is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Cd(1), four equivalent Cd(2), and four equivalent Bi(1) atoms to form CdCd8Bi4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8Bi4 cuboctahedra, edges with eight equivalent Cd(1)Cd8Bi4 cuboctahedra, edges with eight equivalent Cd(2)Cd8Bi4 cuboctahedra, edges with eight equivalent Bi(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Cd8Bi4 cuboctahedra, faces with four equivalent Bi(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8Bi4 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent Bi(1) atoms to form CdCd8Bi4 cuboctahedra that share corners with four equivalent Cd(2)Cd8Bi4 cuboctahedra, corners with eight equivalent Bi(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Cd8Bi4 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Bi4 cuboctahedra, faces with four equivalent Cd(2)Cd8Bi4 cuboctahedra, faces with six equivalent Bi(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Bi4 cuboctahedra. Bi(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form BiCd12 cuboctahedra that share corners with four equivalent Bi(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Cd8Bi4 cuboctahedra, edges with eight equivalent Bi(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Bi4 cuboctahedra, faces with four equivalent Bi(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Cd8Bi4 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Bi4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   5.709
_cell_length_c   5.709
_cell_angle_alpha   132.205
_cell_angle_beta   132.205
_cell_angle_gamma   69.905
_symmetry_Int_Tables_number   1
_cell_volume   100.121
_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
  Cd  Cd0  1  0.750  0.250  0.500  1.0
  Cd  Cd1  1  0.250  0.750  0.500  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Cd3Bi is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Cd(1), four equivalent Cd(2), and four equivalent Bi(1) atoms to form CdCd8Bi4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8Bi4 cuboctahedra, edges with eight equivalent Cd(1)Cd8Bi4 cuboctahedra, edges with eight equivalent Cd(2)Cd8Bi4 cuboctahedra, edges with eight equivalent Bi(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Cd8Bi4 cuboctahedra, faces with four equivalent Bi(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8Bi4 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent Bi(1) atoms to form CdCd8Bi4 cuboctahedra that share corners with four equivalent Cd(2)Cd8Bi4 cuboctahedra, corners with eight equivalent Bi(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Cd8Bi4 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Bi4 cuboctahedra, faces with four equivalent Cd(2)Cd8Bi4 cuboctahedra, faces with six equivalent Bi(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Bi4 cuboctahedra. Bi(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form BiCd12 cuboctahedra that share corners with four equivalent Bi(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Cd8Bi4 cuboctahedra, edges with eight equivalent Bi(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Bi4 cuboctahedra, faces with four equivalent Bi(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Cd8Bi4 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Bi4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   5.709
_cell_length_c   5.709
_cell_angle_alpha   132.205
_cell_angle_beta   132.205
_cell_angle_gamma   69.905
_symmetry_Int_Tables_number   1
_cell_volume   100.121
_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
  Cd  Cd0  1  0.750  0.250  0.500  1.0
  Cd  Cd1  1  0.250  0.750  0.500  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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