The structure described by Li4(CdSb)5 crystallizes in the trigonal R3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Cd(1), three equivalent Cd(2), one Sb(2), and three equivalent Sb(5) atoms to form distorted LiCd6Sb4 tetrahedra that share  a cornercorner with one Cd(3)Li6Sb4 tetrahedra, corners with three equivalent Li(2)Cd6Sb4 tetrahedra, corners with three equivalent Cd(1)Li3Sb4 tetrahedra, edges with three equivalent Cd(1)Li3Sb4 tetrahedra, faces with three equivalent Li(2)Cd6Sb4 tetrahedra, and faces with six equivalent Li(1)Cd6Sb4 tetrahedra. In the second Li site, Li(2) is bonded to three equivalent Cd(2), three equivalent Cd(3), one Sb(3), and three equivalent Sb(2) atoms to form distorted LiCd6Sb4 tetrahedra that share corners with three equivalent Li(1)Cd6Sb4 tetrahedra, corners with three equivalent Li(3)Cd6Sb4 tetrahedra, edges with three equivalent Cd(3)Li6Sb4 tetrahedra, faces with three equivalent Li(1)Cd6Sb4 tetrahedra, faces with three equivalent Li(3)Cd6Sb4 tetrahedra, and faces with six equivalent Li(2)Cd6Sb4 tetrahedra. In the third Li site, Li(3) is bonded to three equivalent Cd(3), three equivalent Cd(4), one Sb(1), and three equivalent Sb(3) atoms to form distorted LiCd6Sb4 tetrahedra that share  a cornercorner with one Cd(5)Li3Sb4 tetrahedra, corners with three equivalent Li(2)Cd6Sb4 tetrahedra, corners with three equivalent Li(4)Cd6Sb4 tetrahedra, corners with three equivalent Cd(3)Li6Sb4 tetrahedra, edges with three equivalent Cd(3)Li6Sb4 tetrahedra, faces with three equivalent Li(2)Cd6Sb4 tetrahedra, faces with three equivalent Li(4)Cd6Sb4 tetrahedra, and faces with six equivalent Li(3)Cd6Sb4 tetrahedra. In the fourth Li site, Li(4) is bonded to three equivalent Cd(4), three equivalent Cd(5), one Sb(4), and three equivalent Sb(1) atoms to form distorted LiCd6Sb4 tetrahedra that share  a cornercorner with one Cd(1)Li3Sb4 tetrahedra, corners with three equivalent Li(3)Cd6Sb4 tetrahedra, edges with three equivalent Cd(5)Li3Sb4 tetrahedra, faces with three equivalent Li(3)Cd6Sb4 tetrahedra, and faces with six equivalent Li(4)Cd6Sb4 tetrahedra. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Li(1), one Sb(4), and three equivalent Sb(5) atoms to form distorted CdLi3Sb4 tetrahedra that share  a cornercorner with one Li(4)Cd6Sb4 tetrahedra, corners with three equivalent Li(1)Cd6Sb4 tetrahedra, corners with three equivalent Cd(5)Li3Sb4 tetrahedra, edges with three equivalent Li(1)Cd6Sb4 tetrahedra, and edges with six equivalent Cd(1)Li3Sb4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(2), one Sb(5), and three equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded to three equivalent Li(2), three equivalent Li(3), one Sb(2), and three equivalent Sb(3) atoms to form distorted CdLi6Sb4 tetrahedra that share  a cornercorner with one Li(1)Cd6Sb4 tetrahedra, corners with three equivalent Li(3)Cd6Sb4 tetrahedra, edges with three equivalent Li(2)Cd6Sb4 tetrahedra, edges with three equivalent Li(3)Cd6Sb4 tetrahedra, and faces with six equivalent Cd(3)Li6Sb4 tetrahedra. In the fourth Cd site, Cd(4) is bonded in a 10-coordinate geometry to three equivalent Li(3), three equivalent Li(4), one Sb(3), and three equivalent Sb(1) atoms. In the fifth Cd site, Cd(5) is bonded to three equivalent Li(4), one Sb(1), and three equivalent Sb(4) atoms to form distorted CdLi3Sb4 tetrahedra that share  a cornercorner with one Li(3)Cd6Sb4 tetrahedra, corners with three equivalent Cd(1)Li3Sb4 tetrahedra, edges with three equivalent Li(4)Cd6Sb4 tetrahedra, and edges with six equivalent Cd(5)Li3Sb4 tetrahedra. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to one Li(3), three equivalent Li(4), one Cd(5), and three equivalent Cd(4) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to one Li(1), three equivalent Li(2), one Cd(3), and three equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a body-centered cubic geometry to one Li(2), three equivalent Li(3), one Cd(4), and three equivalent Cd(3) atoms. In the fourth Sb site, Sb(4) is bonded in a distorted pentagonal planar geometry to one Li(4), one Cd(1), and three equivalent Cd(5) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Cd(2), and three equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_Li4(CdSb)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.630
_cell_length_b   19.630
_cell_length_c   19.630
_cell_angle_alpha   13.826
_cell_angle_beta   13.826
_cell_angle_gamma   13.826
_symmetry_Int_Tables_number   1
_cell_volume   375.924
_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
  Li  Li1  1  0.150  0.150  0.150  1.0
  Li  Li2  1  0.550  0.550  0.550  1.0
  Li  Li3  1  0.951  0.951  0.951  1.0
  Cd  Cd4  1  0.049  0.049  0.049  1.0
  Cd  Cd5  1  0.449  0.449  0.449  1.0
  Cd  Cd6  1  0.850  0.850  0.850  1.0
  Cd  Cd7  1  0.250  0.250  0.250  1.0
  Cd  Cd8  1  0.651  0.651  0.651  1.0
  Sb  Sb9  1  0.600  0.600  0.600  1.0
  Sb  Sb10  1  0.801  0.801  0.801  1.0
  Sb  Sb11  1  0.200  0.200  0.200  1.0
  Sb  Sb12  1  0.000  0.000  0.000  1.0
  Sb  Sb13  1  0.400  0.400  0.400  1.0
[/CIF]
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The structure described by Li4(CdSb)5 crystallizes in the trigonal R3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Cd(1), three equivalent Cd(2), one Sb(2), and three equivalent Sb(5) atoms to form distorted LiCd6Sb4 tetrahedra that share  a cornercorner with one Cd(3)Li6Sb4 tetrahedra, corners with three equivalent Li(2)Cd6Sb4 tetrahedra, corners with three equivalent Cd(1)Li3Sb4 tetrahedra, edges with three equivalent Cd(1)Li3Sb4 tetrahedra, faces with three equivalent Li(2)Cd6Sb4 tetrahedra, and faces with six equivalent Li(1)Cd6Sb4 tetrahedra. In the second Li site, Li(2) is bonded to three equivalent Cd(2), three equivalent Cd(3), one Sb(3), and three equivalent Sb(2) atoms to form distorted LiCd6Sb4 tetrahedra that share corners with three equivalent Li(1)Cd6Sb4 tetrahedra, corners with three equivalent Li(3)Cd6Sb4 tetrahedra, edges with three equivalent Cd(3)Li6Sb4 tetrahedra, faces with three equivalent Li(1)Cd6Sb4 tetrahedra, faces with three equivalent Li(3)Cd6Sb4 tetrahedra, and faces with six equivalent Li(2)Cd6Sb4 tetrahedra. In the third Li site, Li(3) is bonded to three equivalent Cd(3), three equivalent Cd(4), one Sb(1), and three equivalent Sb(3) atoms to form distorted LiCd6Sb4 tetrahedra that share  a cornercorner with one Cd(5)Li3Sb4 tetrahedra, corners with three equivalent Li(2)Cd6Sb4 tetrahedra, corners with three equivalent Li(4)Cd6Sb4 tetrahedra, corners with three equivalent Cd(3)Li6Sb4 tetrahedra, edges with three equivalent Cd(3)Li6Sb4 tetrahedra, faces with three equivalent Li(2)Cd6Sb4 tetrahedra, faces with three equivalent Li(4)Cd6Sb4 tetrahedra, and faces with six equivalent Li(3)Cd6Sb4 tetrahedra. In the fourth Li site, Li(4) is bonded to three equivalent Cd(4), three equivalent Cd(5), one Sb(4), and three equivalent Sb(1) atoms to form distorted LiCd6Sb4 tetrahedra that share  a cornercorner with one Cd(1)Li3Sb4 tetrahedra, corners with three equivalent Li(3)Cd6Sb4 tetrahedra, edges with three equivalent Cd(5)Li3Sb4 tetrahedra, faces with three equivalent Li(3)Cd6Sb4 tetrahedra, and faces with six equivalent Li(4)Cd6Sb4 tetrahedra. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Li(1), one Sb(4), and three equivalent Sb(5) atoms to form distorted CdLi3Sb4 tetrahedra that share  a cornercorner with one Li(4)Cd6Sb4 tetrahedra, corners with three equivalent Li(1)Cd6Sb4 tetrahedra, corners with three equivalent Cd(5)Li3Sb4 tetrahedra, edges with three equivalent Li(1)Cd6Sb4 tetrahedra, and edges with six equivalent Cd(1)Li3Sb4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(2), one Sb(5), and three equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded to three equivalent Li(2), three equivalent Li(3), one Sb(2), and three equivalent Sb(3) atoms to form distorted CdLi6Sb4 tetrahedra that share  a cornercorner with one Li(1)Cd6Sb4 tetrahedra, corners with three equivalent Li(3)Cd6Sb4 tetrahedra, edges with three equivalent Li(2)Cd6Sb4 tetrahedra, edges with three equivalent Li(3)Cd6Sb4 tetrahedra, and faces with six equivalent Cd(3)Li6Sb4 tetrahedra. In the fourth Cd site, Cd(4) is bonded in a 10-coordinate geometry to three equivalent Li(3), three equivalent Li(4), one Sb(3), and three equivalent Sb(1) atoms. In the fifth Cd site, Cd(5) is bonded to three equivalent Li(4), one Sb(1), and three equivalent Sb(4) atoms to form distorted CdLi3Sb4 tetrahedra that share  a cornercorner with one Li(3)Cd6Sb4 tetrahedra, corners with three equivalent Cd(1)Li3Sb4 tetrahedra, edges with three equivalent Li(4)Cd6Sb4 tetrahedra, and edges with six equivalent Cd(5)Li3Sb4 tetrahedra. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to one Li(3), three equivalent Li(4), one Cd(5), and three equivalent Cd(4) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to one Li(1), three equivalent Li(2), one Cd(3), and three equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a body-centered cubic geometry to one Li(2), three equivalent Li(3), one Cd(4), and three equivalent Cd(3) atoms. In the fourth Sb site, Sb(4) is bonded in a distorted pentagonal planar geometry to one Li(4), one Cd(1), and three equivalent Cd(5) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Cd(2), and three equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_Li4(CdSb)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.630
_cell_length_b   19.630
_cell_length_c   19.630
_cell_angle_alpha   13.826
_cell_angle_beta   13.826
_cell_angle_gamma   13.826
_symmetry_Int_Tables_number   1
_cell_volume   375.924
_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
  Li  Li1  1  0.150  0.150  0.150  1.0
  Li  Li2  1  0.550  0.550  0.550  1.0
  Li  Li3  1  0.951  0.951  0.951  1.0
  Cd  Cd4  1  0.049  0.049  0.049  1.0
  Cd  Cd5  1  0.449  0.449  0.449  1.0
  Cd  Cd6  1  0.850  0.850  0.850  1.0
  Cd  Cd7  1  0.250  0.250  0.250  1.0
  Cd  Cd8  1  0.651  0.651  0.651  1.0
  Sb  Sb9  1  0.600  0.600  0.600  1.0
  Sb  Sb10  1  0.801  0.801  0.801  1.0
  Sb  Sb11  1  0.200  0.200  0.200  1.0
  Sb  Sb12  1  0.000  0.000  0.000  1.0
  Sb  Sb13  1  0.400  0.400  0.400  1.0
[/CIF]
.