data_ZrBe2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.34
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2V
_chemical_formula_sum   'Zr1 Be2 V1'
_cell_volume   53.19
_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
  Zr  Zr3  1  0.0  0.0  0.81  1.0
  Be  Be0  1  0.42  0.67  0.52  1.0
  Be  Be1  1  0.42  0.67  0.1  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_ZrBe2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.34
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2V
_chemical_formula_sum   'Zr1 Be2 V1'
_cell_volume   53.19
_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
  Zr  Zr0  1  0.0  0.0  0.81  1.0
  Be  Be1  1  0.42  0.67  0.1  1.0
  Be  Be2  1  0.42  0.67  0.52  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Zr Be Be V
Be2ZrV crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 5-coordinate geometry to one Be(2) and four equivalent Zr(1) atoms. The Be(1)-Be(2) bond length is 2.36 Å. There are a spread of Be(1)-Zr(1) bond distances ranging from 2.30-3.22 Å. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to one Be(1) and two equivalent V(1) atoms. There is one shorter (1.72 Å) and one longer (2.07 Å) Be(2)-V(1) bond length. Zr(1) is bonded in a single-bond geometry to four equivalent Be(1) and one V(1) atom. The Zr(1)-V(1) bond length is 1.05 Å. V(1) is bonded in a distorted single-bond geometry to two equivalent Be(2) and one Zr(1) atom.