data_BaLi2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39
_cell_length_b   11.39
_cell_length_c   11.39
_cell_angle_alpha   15.79
_cell_angle_beta   15.79
_cell_angle_gamma   15.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Ta
_chemical_formula_sum   'Ba1 Li2 Ta1'
_cell_volume   95.34
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.0  0.05  1.0
  Li  Li2  1  0.0  0.0  0.69  1.0
  Ta  Ta3  1  0.0  0.0  0.87  1.0

data_BaLi2Ta
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   99.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLi2Ta
_chemical_formula_sum   'Ba2 Li4 Ta2'
_cell_volume   190.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Li  Li1  2  0.0  0.0  0.31  1.0
  Li  Li2  2  0.0  0.0  0.95  1.0
  Ta  Ta3  2  0.0  0.0  0.13  1.0

Ba Li Li Ta
Ba Li Li Ta 0 1 o o o 0 3 o o - 2 3 o o o 
Li2BaTa is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2BaTa clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Ba(1) atom. The Li(1)-Ba(1) bond length is 0.56 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Ta(1) atom. The Li(2)-Ta(1) bond length is 2.03 Å. Ba(1) is bonded in a linear geometry to one Li(1) and one Ta(1) atom. The Ba(1)-Ta(1) bond length is 1.47 Å. Ta(1) is bonded in a linear geometry to one Li(2) and one Ba(1) atom.