data_BaBe2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   6.36
_cell_angle_alpha   107.25
_cell_angle_beta   107.25
_cell_angle_gamma   59.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe2V
_chemical_formula_sum   'Ba1 Be2 V1'
_cell_volume   81.02
_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  0.15  0.0  0.56  1.0
  Be  Be1  1  0.03  0.0  0.18  1.0
  Be  Be2  1  0.62  0.0  0.28  1.0
  V  V3  1  0.32  0.0  0.96  1.0

data_BaBe2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.97
_cell_length_c   6.36
_cell_angle_alpha   107.25
_cell_angle_beta   90.0
_cell_angle_gamma   119.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe2V
_chemical_formula_sum   'Ba1 Be2 V1'
_cell_volume   81.02
_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  0.85  0.44  1.0
  Be  Be1  1  0.0  0.38  0.72  1.0
  Be  Be2  1  0.0  0.97  0.82  1.0
  V  V3  1  0.0  0.68  0.04  1.0

Ba Be Be V
BaBe2V crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 3-coordinate geometry to one Be(1), three equivalent Be(2), and one V(1) atom. The Ba(1)-Be(1) bond length is 2.32 Å. There are a spread of Ba(1)-Be(2) bond distances ranging from 2.32-3.54 Å. The Ba(1)-V(1) bond length is 2.46 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Be(2), and two equivalent V(1) atoms. There is one shorter (1.93 Å) and one longer (2.23 Å) Be(1)-Be(2) bond length. There is one shorter (2.05 Å) and one longer (2.73 Å) Be(1)-V(1) bond length. In the second Be site, Be(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Be(1), and one V(1) atom. The Be(2)-V(1) bond length is 2.01 Å. V(1) is bonded in a 3-coordinate geometry to one Ba(1), one Be(2), and two equivalent Be(1) atoms.