data_TaVB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.12
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVB2
_chemical_formula_sum   'Ta1 V1 B2'
_cell_volume   44.86
_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
  Ta  Ta2  1  0.83  0.0  0.52  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.47  0.56  0.87  1.0
  B  B1  1  0.19  0.56  0.18  1.0

data_TaVB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.12
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVB2
_chemical_formula_sum   'Ta1 V1 B2'
_cell_volume   44.86
_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
  Ta  Ta0  1  0.83  0.0  0.52  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.19  0.56  0.18  1.0
  B  B3  1  0.47  0.56  0.87  1.0

Ta V B B
TaVB2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 9-coordinate geometry to one V(1), four equivalent B(1), and four equivalent B(2) atoms. The Ta(1)-V(1) bond length is 2.40 Å. There are a spread of Ta(1)-B(1) bond distances ranging from 2.62-2.86 Å. There are a spread of Ta(1)-B(2) bond distances ranging from 2.62-2.86 Å. V(1) is bonded in a 7-coordinate geometry to one Ta(1), two equivalent B(2), and four equivalent B(1) atoms. There is one shorter (1.68 Å) and one longer (2.00 Å) V(1)-B(2) bond length. There are a spread of V(1)-B(1) bond distances ranging from 2.04-2.38 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), four equivalent V(1), and two equivalent B(2) atoms. There is one shorter (1.94 Å) and one longer (2.31 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded in a 2-coordinate geometry to four equivalent Ta(1), two equivalent V(1), and two equivalent B(1) atoms.