data_BeV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2B
_chemical_formula_sum   'Be1 V2 B1'
_cell_volume   42.82
_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
  Be  Be1  1  0.0  0.0  0.52  1.0
  V  V2  1  0.52  0.52  0.63  1.0
  V  V3  1  0.0  0.0  0.25  1.0
  B  B0  1  0.52  0.52  0.23  1.0

data_BeV2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeV2B
_chemical_formula_sum   'Be2 V4 B2'
_cell_volume   85.64
_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
  Be  Be0  2  0.0  0.0  0.52  1.0
  V  V1  2  0.0  0.0  0.25  1.0
  V  V2  2  0.02  0.5  0.63  1.0
  B  B3  2  0.02  0.5  0.23  1.0

Be V V B
BeV2B crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to one V(2) and four equivalent V(1) atoms. The Be(1)-V(2) bond length is 1.26 Å. There are a spread of Be(1)-V(1) bond distances ranging from 2.14-2.28 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to four equivalent Be(1) and two equivalent B(1) atoms. There is one shorter (1.85 Å) and one longer (2.80 Å) V(1)-B(1) bond length. In the second V site, V(2) is bonded to one Be(1) and four equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing VBeB4 square pyramids. There are a spread of V(2)-B(1) bond distances ranging from 2.07-2.22 Å. B(1) is bonded in a 6-coordinate geometry to two equivalent V(1) and four equivalent V(2) atoms.