The material described by Mo2B5 crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded in a 10-coordinate geometry to one Mo(1), three 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 three equivalent Mo(1), one B(1), and three equivalent B(2) atoms. In the second B site, B(2) is bonded in a distorted q6 geometry to four equivalent Mo(1), two equivalent B(1), and four equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_B5Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   3.905
_cell_length_c   10.297
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.973
_symmetry_Int_Tables_number   1
_cell_volume   136.022
_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  0.667  0.333  0.838  1.0
  B  B1  1  0.333  0.667  0.162  1.0
  B  B2  1  0.333  0.667  0.338  1.0
  B  B3  1  0.667  0.333  0.662  1.0
  B  B4  1  0.500  0.000  0.500  1.0
  B  B5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.000  0.500  0.500  1.0
  B  B7  1  0.500  0.000  0.000  1.0
  B  B8  1  0.500  0.500  0.000  1.0
  B  B9  1  0.000  0.500  0.000  1.0
  Mo  Mo10  1  0.000  1.000  0.867  1.0
  Mo  Mo11  1  1.000  0.000  0.133  1.0
  Mo  Mo12  1  1.000  0.000  0.367  1.0
  Mo  Mo13  1  0.000  1.000  0.633  1.0
[/CIF]
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The material described by Mo2B5 crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded in a 10-coordinate geometry to one Mo(1), three 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 three equivalent Mo(1), one B(1), and three equivalent B(2) atoms. In the second B site, B(2) is bonded in a distorted q6 geometry to four equivalent Mo(1), two equivalent B(1), and four equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_B5Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   3.905
_cell_length_c   10.297
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.973
_symmetry_Int_Tables_number   1
_cell_volume   136.022
_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  0.667  0.333  0.838  1.0
  B  B1  1  0.333  0.667  0.162  1.0
  B  B2  1  0.333  0.667  0.338  1.0
  B  B3  1  0.667  0.333  0.662  1.0
  B  B4  1  0.500  0.000  0.500  1.0
  B  B5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.000  0.500  0.500  1.0
  B  B7  1  0.500  0.000  0.000  1.0
  B  B8  1  0.500  0.500  0.000  1.0
  B  B9  1  0.000  0.500  0.000  1.0
  Mo  Mo10  1  0.000  1.000  0.867  1.0
  Mo  Mo11  1  1.000  0.000  0.133  1.0
  Mo  Mo12  1  1.000  0.000  0.367  1.0
  Mo  Mo13  1  0.000  1.000  0.633  1.0
[/CIF]
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