The structure described by Cd3B is Uranium Silicide-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 B(1) atoms to form CdCd8B4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8B4 cuboctahedra, edges with eight equivalent Cd(1)Cd8B4 cuboctahedra, edges with eight equivalent Cd(2)Cd8B4 cuboctahedra, edges with eight equivalent B(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Cd8B4 cuboctahedra, faces with four equivalent B(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8B4 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent B(1) atoms to form distorted CdCd8B4 cuboctahedra that share corners with four equivalent Cd(2)Cd8B4 cuboctahedra, corners with eight equivalent B(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Cd8B4 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8B4 cuboctahedra, faces with four equivalent Cd(2)Cd8B4 cuboctahedra, faces with six equivalent B(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8B4 cuboctahedra. B(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form distorted BCd12 cuboctahedra that share corners with four equivalent B(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Cd8B4 cuboctahedra, edges with eight equivalent B(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8B4 cuboctahedra, faces with four equivalent B(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Cd8B4 cuboctahedra, and faces with eight equivalent Cd(1)Cd8B4 cuboctahedra. is represented by the CIF card [CIF]
data_Cd3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   5.295
_cell_length_c   5.295
_cell_angle_alpha   134.417
_cell_angle_beta   134.417
_cell_angle_gamma   66.437
_symmetry_Int_Tables_number   1
_cell_volume   74.547
_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
  B  B3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Cd3B is Uranium Silicide-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 B(1) atoms to form CdCd8B4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8B4 cuboctahedra, edges with eight equivalent Cd(1)Cd8B4 cuboctahedra, edges with eight equivalent Cd(2)Cd8B4 cuboctahedra, edges with eight equivalent B(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Cd8B4 cuboctahedra, faces with four equivalent B(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8B4 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent B(1) atoms to form distorted CdCd8B4 cuboctahedra that share corners with four equivalent Cd(2)Cd8B4 cuboctahedra, corners with eight equivalent B(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Cd8B4 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8B4 cuboctahedra, faces with four equivalent Cd(2)Cd8B4 cuboctahedra, faces with six equivalent B(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8B4 cuboctahedra. B(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form distorted BCd12 cuboctahedra that share corners with four equivalent B(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Cd8B4 cuboctahedra, edges with eight equivalent B(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8B4 cuboctahedra, faces with four equivalent B(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Cd8B4 cuboctahedra, and faces with eight equivalent Cd(1)Cd8B4 cuboctahedra. is represented by the CIF card [CIF]
data_Cd3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   5.295
_cell_length_c   5.295
_cell_angle_alpha   134.417
_cell_angle_beta   134.417
_cell_angle_gamma   66.437
_symmetry_Int_Tables_number   1
_cell_volume   74.547
_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
  B  B3  1  0.000  0.000  0.000  1.0
[/CIF]
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