The compound described by Cd3Ga 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 Ga(1) atoms to form CdCd8Ga4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8Ga4 cuboctahedra, edges with eight equivalent Cd(1)Cd8Ga4 cuboctahedra, edges with eight equivalent Cd(2)Cd8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Cd8Ga4 cuboctahedra, faces with four equivalent Ga(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8Ga4 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent Ga(1) atoms to form CdCd8Ga4 cuboctahedra that share corners with four equivalent Cd(2)Cd8Ga4 cuboctahedra, corners with eight equivalent Ga(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Cd8Ga4 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Ga4 cuboctahedra, faces with four equivalent Cd(2)Cd8Ga4 cuboctahedra, faces with six equivalent Ga(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Ga4 cuboctahedra. Ga(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form GaCd12 cuboctahedra that share corners with four equivalent Ga(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Cd8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Ga4 cuboctahedra, faces with four equivalent Ga(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Cd8Ga4 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Ga4 cuboctahedra. is represented by the CIF card [CIF]
data_Cd3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.365
_cell_length_c   5.365
_cell_angle_alpha   131.798
_cell_angle_beta   131.798
_cell_angle_gamma   70.548
_symmetry_Int_Tables_number   1
_cell_volume   84.098
_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
  Ga  Ga3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Cd3Ga 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 Ga(1) atoms to form CdCd8Ga4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8Ga4 cuboctahedra, edges with eight equivalent Cd(1)Cd8Ga4 cuboctahedra, edges with eight equivalent Cd(2)Cd8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Cd12 cuboctahedra, faces with four equivalent Cd(2)Cd8Ga4 cuboctahedra, faces with four equivalent Ga(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8Ga4 cuboctahedra. In the second Cd site, Cd(2) is bonded to eight equivalent Cd(1) and four equivalent Ga(1) atoms to form CdCd8Ga4 cuboctahedra that share corners with four equivalent Cd(2)Cd8Ga4 cuboctahedra, corners with eight equivalent Ga(1)Cd12 cuboctahedra, edges with eight equivalent Cd(2)Cd8Ga4 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Ga4 cuboctahedra, faces with four equivalent Cd(2)Cd8Ga4 cuboctahedra, faces with six equivalent Ga(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Ga4 cuboctahedra. Ga(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form GaCd12 cuboctahedra that share corners with four equivalent Ga(1)Cd12 cuboctahedra, corners with eight equivalent Cd(2)Cd8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Ga4 cuboctahedra, faces with four equivalent Ga(1)Cd12 cuboctahedra, faces with six equivalent Cd(2)Cd8Ga4 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Ga4 cuboctahedra. is represented by the CIF card [CIF]
data_Cd3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.365
_cell_length_c   5.365
_cell_angle_alpha   131.798
_cell_angle_beta   131.798
_cell_angle_gamma   70.548
_symmetry_Int_Tables_number   1
_cell_volume   84.098
_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
  Ga  Ga3  1  0.000  0.000  0.000  1.0
[/CIF]
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