The structure described by MoB3 crystallizes in the trigonal R-3m space group. Mo(1) is bonded to twelve equivalent B(1) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. B(1) is bonded in a 7-coordinate geometry to four equivalent Mo(1) and three equivalent B(1) atoms. is represented by the CIF file [CIF]
data_B3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.332
_cell_length_b   4.332
_cell_length_c   4.332
_cell_angle_alpha   73.864
_cell_angle_beta   73.864
_cell_angle_gamma   73.864
_symmetry_Int_Tables_number   1
_cell_volume   73.223
_cell_formula_units_Z   2
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  0.335  0.665  0.000  1.0
  B  B1  1  0.000  0.335  0.665  1.0
  B  B2  1  0.665  0.000  0.335  1.0
  B  B3  1  0.000  0.665  0.335  1.0
  B  B4  1  0.335  0.000  0.665  1.0
  B  B5  1  0.665  0.335  0.000  1.0
  Mo  Mo6  1  0.835  0.835  0.835  1.0
  Mo  Mo7  1  0.165  0.165  0.165  1.0
[/CIF]
.
The structure described by MoB3 crystallizes in the trigonal R-3m space group. Mo(1) is bonded to twelve equivalent B(1) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. B(1) is bonded in a 7-coordinate geometry to four equivalent Mo(1) and three equivalent B(1) atoms. is represented by the CIF file [CIF]
data_B3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.332
_cell_length_b   4.332
_cell_length_c   4.332
_cell_angle_alpha   73.864
_cell_angle_beta   73.864
_cell_angle_gamma   73.864
_symmetry_Int_Tables_number   1
_cell_volume   73.223
_cell_formula_units_Z   2
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  0.335  0.665  0.000  1.0
  B  B1  1  0.000  0.335  0.665  1.0
  B  B2  1  0.665  0.000  0.335  1.0
  B  B3  1  0.000  0.665  0.335  1.0
  B  B4  1  0.335  0.000  0.665  1.0
  B  B5  1  0.665  0.335  0.000  1.0
  Mo  Mo6  1  0.835  0.835  0.835  1.0
  Mo  Mo7  1  0.165  0.165  0.165  1.0
[/CIF]
.