data_V2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.08
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BAu
_chemical_formula_sum   'V2 B1 Au1'
_cell_volume   51.95
_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
  V  V2  1  0.7  0.54  0.26  1.0
  V  V3  1  0.78  0.0  0.15  1.0
  B  B1  1  0.23  0.0  0.55  1.0
  Au  Au0  1  0.26  0.54  0.83  1.0

data_V2BAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.08
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BAu
_chemical_formula_sum   'V2 B1 Au1'
_cell_volume   51.95
_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
  V  V0  1  0.7  0.54  0.26  1.0
  V  V1  1  0.78  0.0  0.15  1.0
  B  B2  1  0.23  0.0  0.55  1.0
  Au  Au3  1  0.26  0.54  0.83  1.0

V V B Au
V2AuB crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to two equivalent V(2), one Au(1), and four equivalent B(1) atoms. There is one shorter (1.61 Å) and one longer (1.83 Å) V(1)-V(2) bond length. The V(1)-Au(1) bond length is 2.49 Å. There are a spread of V(1)-B(1) bond distances ranging from 2.43-2.96 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to two equivalent V(1), four equivalent Au(1), and one B(1) atom. There are a spread of V(2)-Au(1) bond distances ranging from 2.52-3.07 Å. The V(2)-B(1) bond length is 2.35 Å. Au(1) is bonded in a 7-coordinate geometry to one V(1), four equivalent V(2), and two equivalent B(1) atoms. There is one shorter (2.13 Å) and one longer (2.31 Å) Au(1)-B(1) bond length. B(1) is bonded in a 7-coordinate geometry to one V(2), four equivalent V(1), and two equivalent Au(1) atoms.