data_VB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.13
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   98.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Mo
_chemical_formula_sum   'V1 B2 Mo1'
_cell_volume   42.97
_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  V3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.41  0.56  0.86  1.0
  B  B1  1  0.62  0.56  0.08  1.0
  Mo  Mo2  1  0.02  0.0  0.47  1.0

data_VB2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.13
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   98.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Mo
_chemical_formula_sum   'V1 B2 Mo1'
_cell_volume   42.97
_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  0.0  0.0  0.0  1.0
  B  B1  1  0.41  0.56  0.86  1.0
  B  B2  1  0.62  0.56  0.08  1.0
  Mo  Mo3  1  0.02  0.0  0.47  1.0

V B B Mo
V B B Mo 0 1 - - - 0 1 o - - 0 1 o o - 0 2 - - o 0 2 - o o 0 2 o - o 0 3 o o o 0 3 o o - 1 2 o o + 1 3 + + o 1 3 o + o 1 3 o o o 2 3 + + o 2 3 + o o 2 3 o + o 3 3 + o o 
VMoB2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1), four equivalent B(1), and four equivalent B(2) atoms. There is one shorter (2.35 Å) and one longer (2.65 Å) V(1)-Mo(1) bond length. There are a spread of V(1)-B(1) bond distances ranging from 1.98-2.43 Å. There are a spread of V(1)-B(2) bond distances ranging from 1.81-2.45 Å. Mo(1) is bonded in a 1-coordinate geometry to two equivalent V(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to four equivalent V(1) and one B(2) atom. The B(1)-B(2) bond length is 1.15 Å. In the second B site, B(2) is bonded in a 3-coordinate geometry to four equivalent V(1) and one B(1) atom.