data_Hf2BeV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.37
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeV
_chemical_formula_sum   'Hf2 Be1 V1'
_cell_volume   66.63
_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
  Hf  Hf1  1  0.53  0.68  0.54  1.0
  Hf  Hf2  1  0.47  0.68  0.83  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.95  0.0  0.19  1.0

data_Hf2BeV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.37
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeV
_chemical_formula_sum   'Hf2 Be1 V1'
_cell_volume   66.63
_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
  Hf  Hf0  1  0.47  0.68  0.83  1.0
  Hf  Hf1  1  0.53  0.68  0.54  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.95  0.0  0.19  1.0

Hf Hf Be V
Hf Hf Be V 0 1 o o o 1 2 o + + 1 2 + + + 2 3 - o o 
BeHf2V crystallizes in the triclinic P1 space group. Be(1) is bonded in a 3-coordinate geometry to four equivalent Hf(2) and one V(1) atom. There are a spread of Be(1)-Hf(2) bond distances ranging from 2.13-3.02 Å. The Be(1)-V(1) bond length is 1.20 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to one Hf(2) and two equivalent V(1) atoms. The Hf(1)-Hf(2) bond length is 1.84 Å. There is one shorter (2.85 Å) and one longer (3.07 Å) Hf(1)-V(1) bond length. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Hf(1) atom. V(1) is bonded in a distorted single-bond geometry to one Be(1) and two equivalent Hf(1) atoms.