The compound described by Li4Cd3Zn crystallizes in the trigonal R3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(3), one Cd(3), and three equivalent Cd(2) atoms to form distorted LiLiCd4 tetrahedra that share  a cornercorner with one Cd(1)Li4Cd4 tetrahedra, corners with three equivalent Li(2)Li3Cd4 tetrahedra, corners with three equivalent Li(4)ZnCd9 tetrahedra, corners with six equivalent Li(1)LiCd4 tetrahedra, corners with nine equivalent Li(3)Li4Zn3Cd7 tetrahedra, edges with three equivalent Li(2)Li3Cd4 tetrahedra, edges with three equivalent Cd(1)Li4Cd4 tetrahedra,  a faceface with one Li(3)Li4Zn3Cd7 tetrahedra, and faces with three equivalent Li(4)ZnCd9 tetrahedra. In the second Li site, Li(2) is bonded to three equivalent Li(3), one Cd(2), and three equivalent Cd(3) atoms to form distorted LiLi3Cd4 tetrahedra that share corners with three equivalent Li(3)Li4Zn3Cd7 tetrahedra, corners with three equivalent Li(1)LiCd4 tetrahedra, corners with four equivalent Cd(1)Li4Cd4 tetrahedra, corners with nine equivalent Li(4)ZnCd9 tetrahedra, edges with three equivalent Li(1)LiCd4 tetrahedra, edges with six equivalent Li(2)Li3Cd4 tetrahedra,  a faceface with one Li(4)ZnCd9 tetrahedra, faces with three equivalent Li(3)Li4Zn3Cd7 tetrahedra, and faces with three equivalent Cd(1)Li4Cd4 tetrahedra. In the third Li site, Li(3) is bonded to one Li(1), three equivalent Li(2), one Cd(1), three equivalent Cd(2), three equivalent Cd(3), and three equivalent Zn(1) atoms to form distorted LiLi4Zn3Cd7 tetrahedra that share corners with three equivalent Li(2)Li3Cd4 tetrahedra, corners with six equivalent Li(4)ZnCd9 tetrahedra, corners with nine equivalent Li(1)LiCd4 tetrahedra, corners with nine equivalent Cd(1)Li4Cd4 tetrahedra,  a faceface with one Li(1)LiCd4 tetrahedra,  a faceface with one Cd(1)Li4Cd4 tetrahedra, faces with three equivalent Li(2)Li3Cd4 tetrahedra, faces with six equivalent Li(3)Li4Zn3Cd7 tetrahedra, and faces with six equivalent Li(4)ZnCd9 tetrahedra. In the fourth Li site, Li(4) is bonded to three equivalent Cd(1), three equivalent Cd(2), three equivalent Cd(3), and one Zn(1) atom to form distorted LiZnCd9 tetrahedra that share corners with three equivalent Li(1)LiCd4 tetrahedra, corners with three equivalent Cd(1)Li4Cd4 tetrahedra, corners with six equivalent Li(3)Li4Zn3Cd7 tetrahedra, corners with nine equivalent Li(2)Li3Cd4 tetrahedra,  a faceface with one Li(2)Li3Cd4 tetrahedra, faces with three equivalent Li(1)LiCd4 tetrahedra, faces with three equivalent Cd(1)Li4Cd4 tetrahedra, faces with six equivalent Li(3)Li4Zn3Cd7 tetrahedra, and faces with six equivalent Li(4)ZnCd9 tetrahedra. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Li(3), three equivalent Li(4), one Cd(2), and three equivalent Cd(3) atoms to form distorted CdLi4Cd4 tetrahedra that share  a cornercorner with one Li(1)LiCd4 tetrahedra, corners with three equivalent Li(4)ZnCd9 tetrahedra, corners with four equivalent Li(2)Li3Cd4 tetrahedra, corners with nine equivalent Li(3)Li4Zn3Cd7 tetrahedra, edges with three equivalent Li(1)LiCd4 tetrahedra, edges with six equivalent Cd(1)Li4Cd4 tetrahedra,  a faceface with one Li(3)Li4Zn3Cd7 tetrahedra, faces with three equivalent Li(2)Li3Cd4 tetrahedra, and faces with three equivalent Li(4)ZnCd9 tetrahedra. In the second Cd site, Cd(2) is bonded in a 14-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Li(3), three equivalent Li(4), one Cd(1), and three equivalent Zn(1) atoms. In the third Cd site, Cd(3) is bonded in a 14-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Li(3), three equivalent Li(4), three equivalent Cd(1), and one Zn(1) atom. Zn(1) is bonded in a distorted body-centered cubic geometry to one Li(4), three equivalent Li(3), one Cd(3), and three equivalent Cd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4ZnCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.005
_cell_length_b   8.005
_cell_length_c   8.005
_cell_angle_alpha   33.497
_cell_angle_beta   33.497
_cell_angle_gamma   33.497
_symmetry_Int_Tables_number   1
_cell_volume   139.172
_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  0.126  0.126  0.126  1.0
  Li  Li1  1  0.624  0.624  0.624  1.0
  Li  Li2  1  0.003  0.003  0.003  1.0
  Li  Li3  1  0.496  0.496  0.496  1.0
  Zn  Zn4  1  0.376  0.376  0.376  1.0
  Cd  Cd5  1  0.874  0.874  0.874  1.0
  Cd  Cd6  1  0.746  0.746  0.746  1.0
  Cd  Cd7  1  0.255  0.255  0.255  1.0
[/CIF]
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The compound described by Li4Cd3Zn crystallizes in the trigonal R3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(3), one Cd(3), and three equivalent Cd(2) atoms to form distorted LiLiCd4 tetrahedra that share  a cornercorner with one Cd(1)Li4Cd4 tetrahedra, corners with three equivalent Li(2)Li3Cd4 tetrahedra, corners with three equivalent Li(4)ZnCd9 tetrahedra, corners with six equivalent Li(1)LiCd4 tetrahedra, corners with nine equivalent Li(3)Li4Zn3Cd7 tetrahedra, edges with three equivalent Li(2)Li3Cd4 tetrahedra, edges with three equivalent Cd(1)Li4Cd4 tetrahedra,  a faceface with one Li(3)Li4Zn3Cd7 tetrahedra, and faces with three equivalent Li(4)ZnCd9 tetrahedra. In the second Li site, Li(2) is bonded to three equivalent Li(3), one Cd(2), and three equivalent Cd(3) atoms to form distorted LiLi3Cd4 tetrahedra that share corners with three equivalent Li(3)Li4Zn3Cd7 tetrahedra, corners with three equivalent Li(1)LiCd4 tetrahedra, corners with four equivalent Cd(1)Li4Cd4 tetrahedra, corners with nine equivalent Li(4)ZnCd9 tetrahedra, edges with three equivalent Li(1)LiCd4 tetrahedra, edges with six equivalent Li(2)Li3Cd4 tetrahedra,  a faceface with one Li(4)ZnCd9 tetrahedra, faces with three equivalent Li(3)Li4Zn3Cd7 tetrahedra, and faces with three equivalent Cd(1)Li4Cd4 tetrahedra. In the third Li site, Li(3) is bonded to one Li(1), three equivalent Li(2), one Cd(1), three equivalent Cd(2), three equivalent Cd(3), and three equivalent Zn(1) atoms to form distorted LiLi4Zn3Cd7 tetrahedra that share corners with three equivalent Li(2)Li3Cd4 tetrahedra, corners with six equivalent Li(4)ZnCd9 tetrahedra, corners with nine equivalent Li(1)LiCd4 tetrahedra, corners with nine equivalent Cd(1)Li4Cd4 tetrahedra,  a faceface with one Li(1)LiCd4 tetrahedra,  a faceface with one Cd(1)Li4Cd4 tetrahedra, faces with three equivalent Li(2)Li3Cd4 tetrahedra, faces with six equivalent Li(3)Li4Zn3Cd7 tetrahedra, and faces with six equivalent Li(4)ZnCd9 tetrahedra. In the fourth Li site, Li(4) is bonded to three equivalent Cd(1), three equivalent Cd(2), three equivalent Cd(3), and one Zn(1) atom to form distorted LiZnCd9 tetrahedra that share corners with three equivalent Li(1)LiCd4 tetrahedra, corners with three equivalent Cd(1)Li4Cd4 tetrahedra, corners with six equivalent Li(3)Li4Zn3Cd7 tetrahedra, corners with nine equivalent Li(2)Li3Cd4 tetrahedra,  a faceface with one Li(2)Li3Cd4 tetrahedra, faces with three equivalent Li(1)LiCd4 tetrahedra, faces with three equivalent Cd(1)Li4Cd4 tetrahedra, faces with six equivalent Li(3)Li4Zn3Cd7 tetrahedra, and faces with six equivalent Li(4)ZnCd9 tetrahedra. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Li(3), three equivalent Li(4), one Cd(2), and three equivalent Cd(3) atoms to form distorted CdLi4Cd4 tetrahedra that share  a cornercorner with one Li(1)LiCd4 tetrahedra, corners with three equivalent Li(4)ZnCd9 tetrahedra, corners with four equivalent Li(2)Li3Cd4 tetrahedra, corners with nine equivalent Li(3)Li4Zn3Cd7 tetrahedra, edges with three equivalent Li(1)LiCd4 tetrahedra, edges with six equivalent Cd(1)Li4Cd4 tetrahedra,  a faceface with one Li(3)Li4Zn3Cd7 tetrahedra, faces with three equivalent Li(2)Li3Cd4 tetrahedra, and faces with three equivalent Li(4)ZnCd9 tetrahedra. In the second Cd site, Cd(2) is bonded in a 14-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Li(3), three equivalent Li(4), one Cd(1), and three equivalent Zn(1) atoms. In the third Cd site, Cd(3) is bonded in a 14-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Li(3), three equivalent Li(4), three equivalent Cd(1), and one Zn(1) atom. Zn(1) is bonded in a distorted body-centered cubic geometry to one Li(4), three equivalent Li(3), one Cd(3), and three equivalent Cd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4ZnCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.005
_cell_length_b   8.005
_cell_length_c   8.005
_cell_angle_alpha   33.497
_cell_angle_beta   33.497
_cell_angle_gamma   33.497
_symmetry_Int_Tables_number   1
_cell_volume   139.172
_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  0.126  0.126  0.126  1.0
  Li  Li1  1  0.624  0.624  0.624  1.0
  Li  Li2  1  0.003  0.003  0.003  1.0
  Li  Li3  1  0.496  0.496  0.496  1.0
  Zn  Zn4  1  0.376  0.376  0.376  1.0
  Cd  Cd5  1  0.874  0.874  0.874  1.0
  Cd  Cd6  1  0.746  0.746  0.746  1.0
  Cd  Cd7  1  0.255  0.255  0.255  1.0
[/CIF]
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