The compound described by LiCd3 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent Cd(2) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to six equivalent Cd(1) and six equivalent Cd(2) atoms to form CdCd12 cuboctahedra that share corners with six equivalent Cd(1)Cd12 cuboctahedra, corners with twelve equivalent Cd(2)Li3Cd3 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(2)Li3Cd3 cuboctahedra, and faces with six equivalent Cd(1)Cd12 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Li(1) and three equivalent Cd(1) atoms to form distorted CdLi3Cd3 cuboctahedra that share corners with six equivalent Cd(1)Cd12 cuboctahedra, corners with twelve equivalent Cd(2)Li3Cd3 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with six equivalent Cd(2)Li3Cd3 cuboctahedra, and faces with two equivalent Cd(2)Li3Cd3 cuboctahedra. is represented by the CIF card [CIF]
data_LiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.096
_cell_length_b   3.096
_cell_length_c   9.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.551
_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  0.333  0.667  0.000  1.0
  Cd  Cd1  1  0.333  0.667  0.500  1.0
  Cd  Cd2  1  0.000  0.000  0.235  1.0
  Cd  Cd3  1  0.000  0.000  0.765  1.0
[/CIF]
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The compound described by LiCd3 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent Cd(2) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to six equivalent Cd(1) and six equivalent Cd(2) atoms to form CdCd12 cuboctahedra that share corners with six equivalent Cd(1)Cd12 cuboctahedra, corners with twelve equivalent Cd(2)Li3Cd3 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(2)Li3Cd3 cuboctahedra, and faces with six equivalent Cd(1)Cd12 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Li(1) and three equivalent Cd(1) atoms to form distorted CdLi3Cd3 cuboctahedra that share corners with six equivalent Cd(1)Cd12 cuboctahedra, corners with twelve equivalent Cd(2)Li3Cd3 cuboctahedra, edges with six equivalent Cd(1)Cd12 cuboctahedra, edges with six equivalent Cd(2)Li3Cd3 cuboctahedra, and faces with two equivalent Cd(2)Li3Cd3 cuboctahedra. is represented by the CIF card [CIF]
data_LiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.096
_cell_length_b   3.096
_cell_length_c   9.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.551
_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  0.333  0.667  0.000  1.0
  Cd  Cd1  1  0.333  0.667  0.500  1.0
  Cd  Cd2  1  0.000  0.000  0.235  1.0
  Cd  Cd3  1  0.000  0.000  0.765  1.0
[/CIF]
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