The crystal structure described by Li3NdGa8 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form LiGa12 cuboctahedra that share edges with six equivalent Li(2)Ga12 cuboctahedra, edges with six equivalent Nd(1)Ga12 cuboctahedra,  a faceface with one Li(2)Ga12 cuboctahedra,  a faceface with one Nd(1)Ga12 cuboctahedra, and faces with six equivalent Li(1)Ga12 cuboctahedra. In the second Li site, Li(2) is bonded to twelve equivalent Ga(2) atoms to form a mixture of face and edge-sharing LiGa12 cuboctahedra. Nd(1) is bonded to twelve equivalent Ga(1) atoms to form distorted NdGa12 cuboctahedra that share edges with twelve equivalent Li(1)Ga12 cuboctahedra, faces with two equivalent Li(1)Ga12 cuboctahedra, and faces with six equivalent Nd(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Nd(1), and three equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and three equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Li3NdGa8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.346
_cell_length_b   4.340
_cell_length_c   13.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.955
_symmetry_Int_Tables_number   1
_cell_volume   224.811
_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  1.000  0.000  0.255  1.0
  Li  Li1  1  1.000  0.000  0.500  1.0
  Li  Li2  1  1.000  0.000  0.745  1.0
  Nd  Nd3  1  1.000  0.000  0.000  1.0
  Ga  Ga4  1  0.667  0.667  0.145  1.0
  Ga  Ga5  1  0.667  0.666  0.371  1.0
  Ga  Ga6  1  0.667  0.666  0.629  1.0
  Ga  Ga7  1  0.667  0.667  0.855  1.0
  Ga  Ga8  1  0.333  0.333  0.145  1.0
  Ga  Ga9  1  0.333  0.334  0.371  1.0
  Ga  Ga10  1  0.333  0.334  0.629  1.0
  Ga  Ga11  1  0.333  0.333  0.855  1.0
[/CIF]
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The crystal structure described by Li3NdGa8 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form LiGa12 cuboctahedra that share edges with six equivalent Li(2)Ga12 cuboctahedra, edges with six equivalent Nd(1)Ga12 cuboctahedra,  a faceface with one Li(2)Ga12 cuboctahedra,  a faceface with one Nd(1)Ga12 cuboctahedra, and faces with six equivalent Li(1)Ga12 cuboctahedra. In the second Li site, Li(2) is bonded to twelve equivalent Ga(2) atoms to form a mixture of face and edge-sharing LiGa12 cuboctahedra. Nd(1) is bonded to twelve equivalent Ga(1) atoms to form distorted NdGa12 cuboctahedra that share edges with twelve equivalent Li(1)Ga12 cuboctahedra, faces with two equivalent Li(1)Ga12 cuboctahedra, and faces with six equivalent Nd(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Nd(1), and three equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and three equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Li3NdGa8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.346
_cell_length_b   4.340
_cell_length_c   13.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.955
_symmetry_Int_Tables_number   1
_cell_volume   224.811
_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  1.000  0.000  0.255  1.0
  Li  Li1  1  1.000  0.000  0.500  1.0
  Li  Li2  1  1.000  0.000  0.745  1.0
  Nd  Nd3  1  1.000  0.000  0.000  1.0
  Ga  Ga4  1  0.667  0.667  0.145  1.0
  Ga  Ga5  1  0.667  0.666  0.371  1.0
  Ga  Ga6  1  0.667  0.666  0.629  1.0
  Ga  Ga7  1  0.667  0.667  0.855  1.0
  Ga  Ga8  1  0.333  0.333  0.145  1.0
  Ga  Ga9  1  0.333  0.334  0.371  1.0
  Ga  Ga10  1  0.333  0.334  0.629  1.0
  Ga  Ga11  1  0.333  0.333  0.855  1.0
[/CIF]
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