The crystal structure described by Li2NdSb2 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Sb(1), and four equivalent Sb(2) atoms. In the second Li site, Li(2) is bonded to four equivalent Nd(1) and four equivalent Sb(1) atoms to form LiNd4Sb4 tetrahedra that share corners with twelve equivalent Sb(2)Li4Nd4 tetrahedra, edges with two equivalent Sb(2)Li4Nd4 tetrahedra, edges with four equivalent Li(2)Nd4Sb4 tetrahedra, and faces with four equivalent Li(2)Nd4Sb4 tetrahedra. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Li(1), four equivalent Li(2), four equivalent Sb(1), and four equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Li(1), four equivalent Li(2), and four equivalent Nd(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Li(1) and four equivalent Nd(1) atoms to form distorted SbLi4Nd4 tetrahedra that share corners with twelve equivalent Li(2)Nd4Sb4 tetrahedra, edges with two equivalent Li(2)Nd4Sb4 tetrahedra, edges with four equivalent Sb(2)Li4Nd4 tetrahedra, and faces with four equivalent Sb(2)Li4Nd4 tetrahedra. is represented by the CIF file [CIF]
data_Li2NdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.601
_cell_length_b   4.601
_cell_length_c   11.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.288
_cell_formula_units_Z   2
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  0.000  0.500  0.378  1.0
  Li  Li1  1  0.500  0.000  0.622  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Nd  Nd4  1  0.000  0.500  0.730  1.0
  Nd  Nd5  1  0.500  0.000  0.270  1.0
  Sb  Sb6  1  0.500  0.000  0.851  1.0
  Sb  Sb7  1  0.000  0.500  0.149  1.0
  Sb  Sb8  1  0.000  0.000  0.500  1.0
  Sb  Sb9  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Li2NdSb2 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Sb(1), and four equivalent Sb(2) atoms. In the second Li site, Li(2) is bonded to four equivalent Nd(1) and four equivalent Sb(1) atoms to form LiNd4Sb4 tetrahedra that share corners with twelve equivalent Sb(2)Li4Nd4 tetrahedra, edges with two equivalent Sb(2)Li4Nd4 tetrahedra, edges with four equivalent Li(2)Nd4Sb4 tetrahedra, and faces with four equivalent Li(2)Nd4Sb4 tetrahedra. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Li(1), four equivalent Li(2), four equivalent Sb(1), and four equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Li(1), four equivalent Li(2), and four equivalent Nd(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Li(1) and four equivalent Nd(1) atoms to form distorted SbLi4Nd4 tetrahedra that share corners with twelve equivalent Li(2)Nd4Sb4 tetrahedra, edges with two equivalent Li(2)Nd4Sb4 tetrahedra, edges with four equivalent Sb(2)Li4Nd4 tetrahedra, and faces with four equivalent Sb(2)Li4Nd4 tetrahedra. is represented by the CIF file [CIF]
data_Li2NdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.601
_cell_length_b   4.601
_cell_length_c   11.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.288
_cell_formula_units_Z   2
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  0.000  0.500  0.378  1.0
  Li  Li1  1  0.500  0.000  0.622  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Nd  Nd4  1  0.000  0.500  0.730  1.0
  Nd  Nd5  1  0.500  0.000  0.270  1.0
  Sb  Sb6  1  0.500  0.000  0.851  1.0
  Sb  Sb7  1  0.000  0.500  0.149  1.0
  Sb  Sb8  1  0.000  0.000  0.500  1.0
  Sb  Sb9  1  0.500  0.500  0.500  1.0
[/CIF]
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