The crystal structure described by Li3Nd2Sb3 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a linear geometry to two equivalent Sb(1) atoms. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Nd(1) and one Sb(2) atom. Nd(1) is bonded to one Li(2), four equivalent Nd(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing NdLiNd4Sb octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted linear geometry to one Li(1) and one Nd(1) atom. In the second Sb site, Sb(2) is bonded in a linear geometry to two equivalent Li(2) atoms. is represented by the CIF file [CIF]
data_Li3Nd2Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.219
_cell_length_b   3.219
_cell_length_c   23.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.328
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.118  1.0
  Li  Li2  1  0.500  0.500  0.882  1.0
  Nd  Nd3  1  0.500  0.500  0.741  1.0
  Nd  Nd4  1  0.500  0.500  0.259  1.0
  Sb  Sb5  1  0.500  0.500  0.388  1.0
  Sb  Sb6  1  0.500  0.500  0.612  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by Li3Nd2Sb3 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a linear geometry to two equivalent Sb(1) atoms. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Nd(1) and one Sb(2) atom. Nd(1) is bonded to one Li(2), four equivalent Nd(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing NdLiNd4Sb octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted linear geometry to one Li(1) and one Nd(1) atom. In the second Sb site, Sb(2) is bonded in a linear geometry to two equivalent Li(2) atoms. is represented by the CIF file [CIF]
data_Li3Nd2Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.219
_cell_length_b   3.219
_cell_length_c   23.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.328
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.118  1.0
  Li  Li2  1  0.500  0.500  0.882  1.0
  Nd  Nd3  1  0.500  0.500  0.741  1.0
  Nd  Nd4  1  0.500  0.500  0.259  1.0
  Sb  Sb5  1  0.500  0.500  0.388  1.0
  Sb  Sb6  1  0.500  0.500  0.612  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
[/CIF]
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