data_BaLiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiV
_chemical_formula_sum   'Ba1 Li1 V1'
_cell_volume   75.26
_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  0.65  0.95  0.77  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.91  0.15  1.0

data_BaLiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiV
_chemical_formula_sum   'Ba1 Li1 V1'
_cell_volume   75.26
_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  0.65  0.95  0.77  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.91  0.15  1.0

Ba Li V
Ba Li V 0 1 + + + 1 2 o - o 
LiBaV crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiBaV cluster. Li(1) is bonded in a single-bond geometry to one Ba(1) and one V(1) atom. The Li(1)-Ba(1) bond length is 2.15 Å. The Li(1)-V(1) bond length is 1.22 Å. Ba(1) is bonded in a distorted single-bond geometry to one Li(1) atom. V(1) is bonded in a single-bond geometry to one Li(1) atom.