The material structure described by MoB2 crystallizes in the trigonal R-3m space group. Mo(1) is bonded in a 10-coordinate geometry to four equivalent B(1) and six equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to four equivalent Mo(1) and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Mo(1) and three equivalent B(2) atoms. is represented by the CIF card [CIF]
data_B2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.174
_cell_length_b   7.174
_cell_length_c   7.174
_cell_angle_alpha   24.260
_cell_angle_beta   24.260
_cell_angle_gamma   24.260
_symmetry_Int_Tables_number   1
_cell_volume   54.778
_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  0.818  0.818  0.818  1.0
  B  B1  1  0.182  0.182  0.182  1.0
  B  B2  1  0.332  0.332  0.332  1.0
  B  B3  1  0.668  0.668  0.668  1.0
  Mo  Mo4  1  0.924  0.924  0.924  1.0
  Mo  Mo5  1  0.076  0.076  0.076  1.0
[/CIF]
.
The material structure described by MoB2 crystallizes in the trigonal R-3m space group. Mo(1) is bonded in a 10-coordinate geometry to four equivalent B(1) and six equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to four equivalent Mo(1) and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Mo(1) and three equivalent B(2) atoms. is represented by the CIF card [CIF]
data_B2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.174
_cell_length_b   7.174
_cell_length_c   7.174
_cell_angle_alpha   24.260
_cell_angle_beta   24.260
_cell_angle_gamma   24.260
_symmetry_Int_Tables_number   1
_cell_volume   54.778
_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  0.818  0.818  0.818  1.0
  B  B1  1  0.182  0.182  0.182  1.0
  B  B2  1  0.332  0.332  0.332  1.0
  B  B3  1  0.668  0.668  0.668  1.0
  Mo  Mo4  1  0.924  0.924  0.924  1.0
  Mo  Mo5  1  0.076  0.076  0.076  1.0
[/CIF]
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