The material described by LiCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to six equivalent Cd(2) and eight equivalent Cd(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Li(1) and four equivalent Cd(2) atoms to form a mixture of distorted corner, edge, and face-sharing CdLi4Cd4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_LiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   4.804
_cell_length_c   4.804
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.380
_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  0.750  0.750  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  Cd  Cd3  1  0.250  0.250  0.250  1.0
[/CIF]
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The material described by LiCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to six equivalent Cd(2) and eight equivalent Cd(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Li(1) and four equivalent Cd(2) atoms to form a mixture of distorted corner, edge, and face-sharing CdLi4Cd4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_LiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   4.804
_cell_length_c   4.804
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.380
_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  0.750  0.750  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  Cd  Cd3  1  0.250  0.250  0.250  1.0
[/CIF]
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