The crystal structure described by Li3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2) and four equivalent Cd(1) atoms to form distorted LiLi4Cd4 cuboctahedra that share corners with eight equivalent Li(1)Li4Cd4 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, edges with four equivalent Li(2)Li8Cd4 cuboctahedra, edges with four equivalent Cd(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li4Cd4 cuboctahedra, and faces with six equivalent Li(1)Li4Cd4 cuboctahedra. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Cd(1) atoms to form LiLi8Cd4 cuboctahedra that share corners with four equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(2)Li8Cd4 cuboctahedra, faces with four equivalent Li(2)Li8Cd4 cuboctahedra, and faces with six equivalent Cd(1)Li12 cuboctahedra. Cd(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form CdLi12 cuboctahedra that share corners with four equivalent Cd(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Cd(1)Li12 cuboctahedra, faces with four equivalent Cd(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Cd4 cuboctahedra. is represented by the CIF file [CIF]
data_Li3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   4.984
_cell_length_c   4.984
_cell_angle_alpha   129.174
_cell_angle_beta   129.174
_cell_angle_gamma   74.731
_symmetry_Int_Tables_number   1
_cell_volume   72.496
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Li3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2) and four equivalent Cd(1) atoms to form distorted LiLi4Cd4 cuboctahedra that share corners with eight equivalent Li(1)Li4Cd4 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, edges with four equivalent Li(2)Li8Cd4 cuboctahedra, edges with four equivalent Cd(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li4Cd4 cuboctahedra, and faces with six equivalent Li(1)Li4Cd4 cuboctahedra. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Cd(1) atoms to form LiLi8Cd4 cuboctahedra that share corners with four equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(2)Li8Cd4 cuboctahedra, faces with four equivalent Li(2)Li8Cd4 cuboctahedra, and faces with six equivalent Cd(1)Li12 cuboctahedra. Cd(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form CdLi12 cuboctahedra that share corners with four equivalent Cd(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Cd(1)Li12 cuboctahedra, faces with four equivalent Cd(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Cd4 cuboctahedra. is represented by the CIF file [CIF]
data_Li3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   4.984
_cell_length_c   4.984
_cell_angle_alpha   129.174
_cell_angle_beta   129.174
_cell_angle_gamma   74.731
_symmetry_Int_Tables_number   1
_cell_volume   72.496
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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