The crystal structure described by Mo7B24 crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to twelve equivalent B(1) atoms to form edge-sharing MoB12 cuboctahedra. In the second Mo site, Mo(2) is bonded to twelve equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. In the third Mo site, Mo(3) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. In the fourth Mo site, Mo(4) is bonded to twelve equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. In the fifth Mo site, Mo(5) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(3), one Mo(5), and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), one Mo(5), and three equivalent B(2) atoms. is represented by the CIF card [CIF]
data_B24Mo7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   5.235
_cell_length_c   12.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.978
_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  0.999  0.334  0.118  1.0
  B  B1  1  0.999  0.335  0.628  1.0
  B  B2  1  0.666  0.665  0.118  1.0
  B  B3  1  0.665  0.664  0.628  1.0
  B  B4  1  0.335  0.001  0.118  1.0
  B  B5  1  0.336  0.001  0.628  1.0
  B  B6  1  0.999  0.665  0.118  1.0
  B  B7  1  0.999  0.664  0.628  1.0
  B  B8  1  0.666  0.001  0.118  1.0
  B  B9  1  0.665  0.001  0.628  1.0
  B  B10  1  0.335  0.334  0.118  1.0
  B  B11  1  0.336  0.335  0.628  1.0
  B  B12  1  0.999  0.665  0.882  1.0
  B  B13  1  0.999  0.664  0.372  1.0
  B  B14  1  0.335  0.334  0.882  1.0
  B  B15  1  0.336  0.335  0.372  1.0
  B  B16  1  0.665  0.001  0.372  1.0
  B  B17  1  0.666  0.001  0.882  1.0
  B  B18  1  0.999  0.334  0.882  1.0
  B  B19  1  0.999  0.335  0.372  1.0
  B  B20  1  0.336  0.001  0.372  1.0
  B  B21  1  0.335  0.001  0.882  1.0
  B  B22  1  0.666  0.665  0.882  1.0
  B  B23  1  0.665  0.664  0.372  1.0
  Mo  Mo24  1  0.667  0.333  0.000  1.0
  Mo  Mo25  1  0.667  0.333  0.500  1.0
  Mo  Mo26  1  0.333  0.667  0.244  1.0
  Mo  Mo27  1  0.333  0.667  0.756  1.0
  Mo  Mo28  1  0.000  0.000  0.500  1.0
  Mo  Mo29  1  0.000  0.000  0.247  1.0
  Mo  Mo30  1  0.000  0.000  0.753  1.0
[/CIF]
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The crystal structure described by Mo7B24 crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to twelve equivalent B(1) atoms to form edge-sharing MoB12 cuboctahedra. In the second Mo site, Mo(2) is bonded to twelve equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. In the third Mo site, Mo(3) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. In the fourth Mo site, Mo(4) is bonded to twelve equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. In the fifth Mo site, Mo(5) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(3), one Mo(5), and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), one Mo(5), and three equivalent B(2) atoms. is represented by the CIF card [CIF]
data_B24Mo7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   5.235
_cell_length_c   12.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.978
_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  0.999  0.334  0.118  1.0
  B  B1  1  0.999  0.335  0.628  1.0
  B  B2  1  0.666  0.665  0.118  1.0
  B  B3  1  0.665  0.664  0.628  1.0
  B  B4  1  0.335  0.001  0.118  1.0
  B  B5  1  0.336  0.001  0.628  1.0
  B  B6  1  0.999  0.665  0.118  1.0
  B  B7  1  0.999  0.664  0.628  1.0
  B  B8  1  0.666  0.001  0.118  1.0
  B  B9  1  0.665  0.001  0.628  1.0
  B  B10  1  0.335  0.334  0.118  1.0
  B  B11  1  0.336  0.335  0.628  1.0
  B  B12  1  0.999  0.665  0.882  1.0
  B  B13  1  0.999  0.664  0.372  1.0
  B  B14  1  0.335  0.334  0.882  1.0
  B  B15  1  0.336  0.335  0.372  1.0
  B  B16  1  0.665  0.001  0.372  1.0
  B  B17  1  0.666  0.001  0.882  1.0
  B  B18  1  0.999  0.334  0.882  1.0
  B  B19  1  0.999  0.335  0.372  1.0
  B  B20  1  0.336  0.001  0.372  1.0
  B  B21  1  0.335  0.001  0.882  1.0
  B  B22  1  0.666  0.665  0.882  1.0
  B  B23  1  0.665  0.664  0.372  1.0
  Mo  Mo24  1  0.667  0.333  0.000  1.0
  Mo  Mo25  1  0.667  0.333  0.500  1.0
  Mo  Mo26  1  0.333  0.667  0.244  1.0
  Mo  Mo27  1  0.333  0.667  0.756  1.0
  Mo  Mo28  1  0.000  0.000  0.500  1.0
  Mo  Mo29  1  0.000  0.000  0.247  1.0
  Mo  Mo30  1  0.000  0.000  0.753  1.0
[/CIF]
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