data_B2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   142.42
_cell_angle_beta   142.42
_cell_angle_gamma   54.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Mo
_chemical_formula_sum   'B2 Mo1'
_cell_volume   28.26
_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
  B  B0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.0  0.0  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_B2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   117.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2Mo
_chemical_formula_sum   'B4 Mo2'
_cell_volume   56.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  B  B0  2  0.0  0.0  0.71  1.0
  B  B1  2  0.0  0.0  0.73  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

B B Mo
MoB2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoB2 clusters. Mo(1) is bonded in a single-bond geometry to one B(2) atom. The Mo(1)-B(2) bond length is 1.14 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one B(2) atom. The B(1)-B(2) bond length is 0.10 Å. In the second B site, B(2) is bonded in a linear geometry to one Mo(1) and one B(1) atom.