data_TiVB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.04
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVB2
_chemical_formula_sum   'Ti1 V1 B2'
_cell_volume   40.87
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.47  1.0
  B  B0  1  0.36  0.52  0.36  1.0
  B  B1  1  0.36  0.52  0.57  1.0

data_TiVB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.04
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVB2
_chemical_formula_sum   'Ti1 V1 B2'
_cell_volume   40.87
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.0  0.47  1.0
  B  B2  1  0.36  0.52  0.36  1.0
  B  B3  1  0.36  0.52  0.57  1.0

Ti V B B
TiVB2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 14-coordinate geometry to four equivalent Ti(1), two equivalent V(1), four equivalent B(1), and four equivalent B(2) atoms. There are two shorter (2.73 Å) and two longer (3.04 Å) Ti(1)-Ti(1) bond lengths. There is one shorter (2.31 Å) and one longer (2.63 Å) Ti(1)-V(1) bond length. There are a spread of Ti(1)-B(1) bond distances ranging from 2.52-2.95 Å. There are a spread of Ti(1)-B(2) bond distances ranging from 2.75-3.16 Å. V(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1), two equivalent B(1), and two equivalent B(2) atoms. There is one shorter (1.84 Å) and one longer (1.93 Å) V(1)-B(1) bond length. There is one shorter (1.84 Å) and one longer (1.93 Å) V(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 1-coordinate geometry to four equivalent Ti(1), two equivalent V(1), and one B(2) atom. The B(1)-B(2) bond length is 1.03 Å. In the second B site, B(2) is bonded in a 1-coordinate geometry to four equivalent Ti(1), two equivalent V(1), and one B(1) atom.