data_BaBe2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe2V
_chemical_formula_sum   'Ba1 Be2 V1'
_cell_volume   71.44
_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  0.51  1.0
  Be  Be1  1  0.6  0.6  0.99  1.0
  Be  Be2  1  0.6  0.6  0.02  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_BaBe2V
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   BaBe2V
_chemical_formula_sum   'Ba2 Be4 V2'
_cell_volume   142.89
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.5  0.0  0.0  1.0
  Be  Be1  4  0.02  0.0  0.6  1.0
  V  V2  2  0.0  0.0  0.0  1.0

Ba Be Be V
BaBe2V crystallizes in the monoclinic Cm space group. Ba(1) is bonded to four equivalent Ba(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing BaBa4V2 octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-Ba(1) bond lengths are 3.19 Å. There is one shorter (3.46 Å) and one longer (3.55 Å) Ba(1)-V(1) bond length. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Be(2) and four equivalent V(1) atoms. The Be(1)-Be(2) bond length is 0.22 Å. There are a spread of Be(1)-V(1) bond distances ranging from 1.82-2.69 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Be(1) and four equivalent V(1) atoms. There are a spread of Be(2)-V(1) bond distances ranging from 1.83-2.69 Å. V(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), four equivalent Be(1), and four equivalent Be(2) atoms.