The crystal structure described by Na3La is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1) and four equivalent La(1) atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent La(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8La4 cuboctahedra; edges with six equivalent La(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8La4 cuboctahedra; faces with four equivalent La(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8La4 cuboctahedra. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent La(1) atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent La(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8La4 cuboctahedra; edges with six equivalent La(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8La4 cuboctahedra; faces with four equivalent La(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8La4 cuboctahedra. La(1) is bonded to twelve Na(1,1) atoms to form LaNa12 cuboctahedra that share corners with six equivalent La(1)Na12 cuboctahedra; corners with twelve equivalent Na(1)Na8La4 cuboctahedra; edges with eighteen Na(1,1)Na8La4 cuboctahedra; faces with eight equivalent La(1)Na12 cuboctahedra; and faces with twelve Na(1,1)Na8La4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.538
_cell_length_b   7.538
_cell_length_c   5.897
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.229
_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
  Na  Na0  1  0.840  0.160  0.750  1.0
  Na  Na1  1  0.320  0.160  0.750  1.0
  Na  Na2  1  0.840  0.680  0.750  1.0
  Na  Na3  1  0.160  0.840  0.250  1.0
  Na  Na4  1  0.680  0.840  0.250  1.0
  Na  Na5  1  0.160  0.320  0.250  1.0
  La  La6  1  0.667  0.333  0.250  1.0
  La  La7  1  0.333  0.667  0.750  1.0
[/CIF]
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The crystal structure described by Na3La is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1) and four equivalent La(1) atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent La(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8La4 cuboctahedra; edges with six equivalent La(1)Na12 cuboctahedra; edges with twelve Na(1,1)Na8La4 cuboctahedra; faces with four equivalent La(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8La4 cuboctahedra. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent La(1) atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent La(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8La4 cuboctahedra; edges with six equivalent La(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8La4 cuboctahedra; faces with four equivalent La(1)Na12 cuboctahedra; and faces with sixteen Na(1,1)Na8La4 cuboctahedra. La(1) is bonded to twelve Na(1,1) atoms to form LaNa12 cuboctahedra that share corners with six equivalent La(1)Na12 cuboctahedra; corners with twelve equivalent Na(1)Na8La4 cuboctahedra; edges with eighteen Na(1,1)Na8La4 cuboctahedra; faces with eight equivalent La(1)Na12 cuboctahedra; and faces with twelve Na(1,1)Na8La4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.538
_cell_length_b   7.538
_cell_length_c   5.897
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.229
_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
  Na  Na0  1  0.840  0.160  0.750  1.0
  Na  Na1  1  0.320  0.160  0.750  1.0
  Na  Na2  1  0.840  0.680  0.750  1.0
  Na  Na3  1  0.160  0.840  0.250  1.0
  Na  Na4  1  0.680  0.840  0.250  1.0
  Na  Na5  1  0.160  0.320  0.250  1.0
  La  La6  1  0.667  0.333  0.250  1.0
  La  La7  1  0.333  0.667  0.750  1.0
[/CIF]
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