The material structure described by Cd3Al is alpha La-derived 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 Al(1) atoms to form CdAl4Cd8 cuboctahedra that share corners with twelve equivalent Cd(1)Al4Cd8 cuboctahedra, edges with eight equivalent Cd(1)Al4Cd8 cuboctahedra, edges with eight equivalent Cd(2)Al4Cd8 cuboctahedra, edges with eight equivalent Al(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Al4Cd8 cuboctahedra, faces with four equivalent Al(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Al4Cd8 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent Al(1) atoms to form CdAl4Cd8 cuboctahedra that share corners with four equivalent Cd(2)Al4Cd8 cuboctahedra, corners with eight equivalent Al(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Al4Cd8 cuboctahedra, edges with sixteen equivalent Cd(1)Al4Cd8 cuboctahedra, faces with four equivalent Cd(2)Al4Cd8 cuboctahedra, faces with six equivalent Al(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Al4Cd8 cuboctahedra. Al(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form AlCd12 cuboctahedra that share corners with four equivalent Al(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Al4Cd8 cuboctahedra, edges with eight equivalent Al(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Al4Cd8 cuboctahedra, faces with four equivalent Al(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Al4Cd8 cuboctahedra, and faces with eight equivalent Cd(1)Al4Cd8 cuboctahedra. is represented by the CIF card [CIF]
data_AlCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.437
_cell_length_c   5.437
_cell_angle_alpha   132.409
_cell_angle_beta   132.409
_cell_angle_gamma   69.584
_symmetry_Int_Tables_number   1
_cell_volume   85.959
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.750  0.250  0.500  1.0
  Cd  Cd2  1  0.250  0.750  0.500  1.0
  Cd  Cd3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by Cd3Al is alpha La-derived 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 Al(1) atoms to form CdAl4Cd8 cuboctahedra that share corners with twelve equivalent Cd(1)Al4Cd8 cuboctahedra, edges with eight equivalent Cd(1)Al4Cd8 cuboctahedra, edges with eight equivalent Cd(2)Al4Cd8 cuboctahedra, edges with eight equivalent Al(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Al4Cd8 cuboctahedra, faces with four equivalent Al(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Al4Cd8 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent Al(1) atoms to form CdAl4Cd8 cuboctahedra that share corners with four equivalent Cd(2)Al4Cd8 cuboctahedra, corners with eight equivalent Al(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Al4Cd8 cuboctahedra, edges with sixteen equivalent Cd(1)Al4Cd8 cuboctahedra, faces with four equivalent Cd(2)Al4Cd8 cuboctahedra, faces with six equivalent Al(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Al4Cd8 cuboctahedra. Al(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form AlCd12 cuboctahedra that share corners with four equivalent Al(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Al4Cd8 cuboctahedra, edges with eight equivalent Al(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Al4Cd8 cuboctahedra, faces with four equivalent Al(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Al4Cd8 cuboctahedra, and faces with eight equivalent Cd(1)Al4Cd8 cuboctahedra. is represented by the CIF card [CIF]
data_AlCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.437
_cell_length_c   5.437
_cell_angle_alpha   132.409
_cell_angle_beta   132.409
_cell_angle_gamma   69.584
_symmetry_Int_Tables_number   1
_cell_volume   85.959
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.750  0.250  0.500  1.0
  Cd  Cd2  1  0.250  0.750  0.500  1.0
  Cd  Cd3  1  0.500  0.500  0.000  1.0
[/CIF]
.