The compound described by Mo2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Mo(1) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to eight equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.584
_cell_length_b   4.584
_cell_length_c   4.584
_cell_angle_alpha   105.554
_cell_angle_beta   105.554
_cell_angle_gamma   117.627
_symmetry_Int_Tables_number   1
_cell_volume   73.027
_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  0.750  0.750  0.000  1.0
  B  B1  1  0.250  0.250  0.000  1.0
  Mo  Mo2  1  0.830  0.670  0.500  1.0
  Mo  Mo3  1  0.330  0.830  0.160  1.0
  Mo  Mo4  1  0.170  0.330  0.500  1.0
  Mo  Mo5  1  0.670  0.170  0.840  1.0
[/CIF]
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The compound described by Mo2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Mo(1) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to eight equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.584
_cell_length_b   4.584
_cell_length_c   4.584
_cell_angle_alpha   105.554
_cell_angle_beta   105.554
_cell_angle_gamma   117.627
_symmetry_Int_Tables_number   1
_cell_volume   73.027
_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  0.750  0.750  0.000  1.0
  B  B1  1  0.250  0.250  0.000  1.0
  Mo  Mo2  1  0.830  0.670  0.500  1.0
  Mo  Mo3  1  0.330  0.830  0.160  1.0
  Mo  Mo4  1  0.170  0.330  0.500  1.0
  Mo  Mo5  1  0.670  0.170  0.840  1.0
[/CIF]
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