data_BaLaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaV2
_chemical_formula_sum   'Ba1 La1 V2'
_cell_volume   108.03
_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  0.01  1.0
  La  La1  1  0.71  0.71  0.69  1.0
  V  V2  1  0.0  0.0  0.63  1.0
  V  V3  1  0.71  0.71  0.46  1.0

data_BaLaV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLaV2
_chemical_formula_sum   'Ba2 La2 V4'
_cell_volume   216.05
_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  0.01  1.0
  La  La1  2  0.21  0.5  0.69  1.0
  V  V2  2  0.0  0.0  0.63  1.0
  V  V3  2  0.21  0.5  0.46  1.0

Ba La V V
BaLaV2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), three equivalent La(1), one V(1), and one V(2) atom. All Ba(1)-Ba(1) bond lengths are 3.43 Å. There is one shorter (3.28 Å) and two longer (3.97 Å) Ba(1)-La(1) bond lengths. The Ba(1)-V(1) bond length is 3.48 Å. The Ba(1)-V(2) bond length is 4.39 Å. La(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one V(1), and one V(2) atom. The La(1)-V(1) bond length is 1.48 Å. The La(1)-V(2) bond length is 2.06 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Ba(1) and one La(1) atom. In the second V site, V(2) is bonded in a distorted single-bond geometry to one Ba(1) and one La(1) atom.