The compound described by LiLa3 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent La(1) atoms to form LiLa12 cuboctahedra that share corners with six equivalent Li(1)La12 cuboctahedra, corners with twelve equivalent La(1)Li4La8 cuboctahedra, edges with eighteen equivalent La(1)Li4La8 cuboctahedra, faces with eight equivalent Li(1)La12 cuboctahedra, and faces with twelve equivalent La(1)Li4La8 cuboctahedra. La(1) is bonded to four equivalent Li(1) and eight equivalent La(1) atoms to form distorted LaLi4La8 cuboctahedra that share corners with four equivalent Li(1)La12 cuboctahedra, corners with fourteen equivalent La(1)Li4La8 cuboctahedra, edges with six equivalent Li(1)La12 cuboctahedra, edges with twelve equivalent La(1)Li4La8 cuboctahedra, faces with four equivalent Li(1)La12 cuboctahedra, and faces with sixteen equivalent La(1)Li4La8 cuboctahedra. is represented by the CIF file [CIF]
data_LiLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.375
_cell_length_b   7.375
_cell_length_c   5.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   256.897
_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  0.667  0.333  0.250  1.0
  Li  Li1  1  0.333  0.667  0.750  1.0
  La  La2  1  0.825  0.175  0.750  1.0
  La  La3  1  0.350  0.175  0.750  1.0
  La  La4  1  0.825  0.650  0.750  1.0
  La  La5  1  0.175  0.350  0.250  1.0
  La  La6  1  0.650  0.825  0.250  1.0
  La  La7  1  0.175  0.825  0.250  1.0
[/CIF]
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The compound described by LiLa3 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent La(1) atoms to form LiLa12 cuboctahedra that share corners with six equivalent Li(1)La12 cuboctahedra, corners with twelve equivalent La(1)Li4La8 cuboctahedra, edges with eighteen equivalent La(1)Li4La8 cuboctahedra, faces with eight equivalent Li(1)La12 cuboctahedra, and faces with twelve equivalent La(1)Li4La8 cuboctahedra. La(1) is bonded to four equivalent Li(1) and eight equivalent La(1) atoms to form distorted LaLi4La8 cuboctahedra that share corners with four equivalent Li(1)La12 cuboctahedra, corners with fourteen equivalent La(1)Li4La8 cuboctahedra, edges with six equivalent Li(1)La12 cuboctahedra, edges with twelve equivalent La(1)Li4La8 cuboctahedra, faces with four equivalent Li(1)La12 cuboctahedra, and faces with sixteen equivalent La(1)Li4La8 cuboctahedra. is represented by the CIF file [CIF]
data_LiLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.375
_cell_length_b   7.375
_cell_length_c   5.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   256.897
_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  0.667  0.333  0.250  1.0
  Li  Li1  1  0.333  0.667  0.750  1.0
  La  La2  1  0.825  0.175  0.750  1.0
  La  La3  1  0.350  0.175  0.750  1.0
  La  La4  1  0.825  0.650  0.750  1.0
  La  La5  1  0.175  0.350  0.250  1.0
  La  La6  1  0.650  0.825  0.250  1.0
  La  La7  1  0.175  0.825  0.250  1.0
[/CIF]
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