The crystal structure described by BaLa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to twelve La(1,1) atoms to form BaLa12 cuboctahedra that share corners with six equivalent Ba(1)La12 cuboctahedra; corners with twelve La(1,1)Ba4La8 cuboctahedra; edges with eighteen La(1,1)Ba4La8 cuboctahedra; faces with eight equivalent Ba(1)La12 cuboctahedra; and faces with twelve La(1,1)Ba4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Ba(1) and eight La(1,1) atoms to form distorted LaBa4La8 cuboctahedra that share corners with four equivalent Ba(1)La12 cuboctahedra; corners with fourteen equivalent La(1)Ba4La8 cuboctahedra; edges with six equivalent Ba(1)La12 cuboctahedra; edges with twelve La(1,1)Ba4La8 cuboctahedra; faces with four equivalent Ba(1)La12 cuboctahedra; and faces with sixteen La(1,1)Ba4La8 cuboctahedra. In the second La site, La(1) is bonded to four equivalent Ba(1) and eight equivalent La(1) atoms to form distorted LaBa4La8 cuboctahedra that share corners with four equivalent Ba(1)La12 cuboctahedra; corners with fourteen La(1,1)Ba4La8 cuboctahedra; edges with six equivalent Ba(1)La12 cuboctahedra; edges with twelve equivalent La(1)Ba4La8 cuboctahedra; faces with four equivalent Ba(1)La12 cuboctahedra; and faces with sixteen La(1,1)Ba4La8 cuboctahedra. is represented by the CIF file [CIF]
data_BaLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.944
_cell_length_b   7.944
_cell_length_c   6.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   337.814
_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
  Ba  Ba0  1  0.333  0.667  0.750  1.0
  Ba  Ba1  1  0.667  0.333  0.250  1.0
  La  La2  1  0.156  0.312  0.250  1.0
  La  La3  1  0.688  0.844  0.250  1.0
  La  La4  1  0.156  0.844  0.250  1.0
  La  La5  1  0.844  0.688  0.750  1.0
  La  La6  1  0.312  0.156  0.750  1.0
  La  La7  1  0.844  0.156  0.750  1.0
[/CIF]
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The crystal structure described by BaLa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to twelve La(1,1) atoms to form BaLa12 cuboctahedra that share corners with six equivalent Ba(1)La12 cuboctahedra; corners with twelve La(1,1)Ba4La8 cuboctahedra; edges with eighteen La(1,1)Ba4La8 cuboctahedra; faces with eight equivalent Ba(1)La12 cuboctahedra; and faces with twelve La(1,1)Ba4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Ba(1) and eight La(1,1) atoms to form distorted LaBa4La8 cuboctahedra that share corners with four equivalent Ba(1)La12 cuboctahedra; corners with fourteen equivalent La(1)Ba4La8 cuboctahedra; edges with six equivalent Ba(1)La12 cuboctahedra; edges with twelve La(1,1)Ba4La8 cuboctahedra; faces with four equivalent Ba(1)La12 cuboctahedra; and faces with sixteen La(1,1)Ba4La8 cuboctahedra. In the second La site, La(1) is bonded to four equivalent Ba(1) and eight equivalent La(1) atoms to form distorted LaBa4La8 cuboctahedra that share corners with four equivalent Ba(1)La12 cuboctahedra; corners with fourteen La(1,1)Ba4La8 cuboctahedra; edges with six equivalent Ba(1)La12 cuboctahedra; edges with twelve equivalent La(1)Ba4La8 cuboctahedra; faces with four equivalent Ba(1)La12 cuboctahedra; and faces with sixteen La(1,1)Ba4La8 cuboctahedra. is represented by the CIF file [CIF]
data_BaLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.944
_cell_length_b   7.944
_cell_length_c   6.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   337.814
_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
  Ba  Ba0  1  0.333  0.667  0.750  1.0
  Ba  Ba1  1  0.667  0.333  0.250  1.0
  La  La2  1  0.156  0.312  0.250  1.0
  La  La3  1  0.688  0.844  0.250  1.0
  La  La4  1  0.156  0.844  0.250  1.0
  La  La5  1  0.844  0.688  0.750  1.0
  La  La6  1  0.312  0.156  0.750  1.0
  La  La7  1  0.844  0.156  0.750  1.0
[/CIF]
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