data_La2V3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.46
_cell_length_b   11.46
_cell_length_c   11.46
_cell_angle_alpha   16.57
_cell_angle_beta   16.57
_cell_angle_gamma   16.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2V3
_chemical_formula_sum   'La2 V3'
_cell_volume   106.63
_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
  La  La0  1  0.0  0.0  0.67  1.0
  La  La1  1  0.0  0.0  0.22  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.42  1.0
  V  V4  1  0.0  0.0  0.47  1.0

data_La2V3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   3.3
_cell_length_c   11.46
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2V3
_chemical_formula_sum   'La4 V6'
_cell_volume   213.26
_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
  La  La0  2  -0.0  0.0  0.78  1.0
  La  La1  2  -0.0  0.0  0.33  1.0
  V  V2  2  -0.0  0.0  0.53  1.0
  V  V3  2  -0.0  0.0  0.58  1.0
  V  V4  2  0.0  0.0  0.0  1.0

La La V V V
La La V V V 0 4 o o o 1 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 3 4 o o o 
La2V3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2V3 clusters. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one V(3) atom. The La(1)-V(3) bond length is 2.30 Å. In the second La site, La(2) is bonded in a linear geometry to one V(1) and one V(2) atom. The La(2)-V(1) bond length is 2.50 Å. The La(2)-V(2) bond length is 2.30 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one La(2) atom. In the second V site, V(2) is bonded in a linear geometry to one La(2) and one V(3) atom. The V(2)-V(3) bond length is 0.62 Å. In the third V site, V(3) is bonded in a linear geometry to one La(1) and one V(2) atom.