The crystal structure described by Mo3Al2 is beta Plutonium-derived structured and crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Mo sites. In the first Mo site, Mo(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), two equivalent Mo(4), one Al(1), one Al(3), one Al(4), and two equivalent Al(2) atoms. In the second Mo site, Mo(6) is bonded in a 4-coordinate geometry to one Mo(4), two equivalent Mo(2), one Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. In the third Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Mo(3), two equivalent Mo(4), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(4) atoms. In the fourth Mo site, Mo(2) is bonded in a 11-coordinate geometry to one Mo(5), two equivalent Mo(3), two equivalent Mo(6), one Al(1), two equivalent Al(3), and three equivalent Al(2) atoms. In the fifth Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(5), two equivalent Mo(2), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(3) atoms. In the sixth Mo site, Mo(4) is bonded in a 11-coordinate geometry to one Mo(6), two equivalent Mo(1), two equivalent Mo(5), one Al(2), one Al(3), two equivalent Al(1), and two equivalent Al(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to one Mo(2), one Mo(3), one Mo(5), one Mo(6), two equivalent Mo(1), two equivalent Mo(4), one Al(2), one Al(3), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded to one Mo(4), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(6), three equivalent Mo(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and face-sharing AlAl2Mo10 cuboctahedra. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(6), one Al(1), and one Al(4) atom. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to one Mo(3), one Mo(5), two equivalent Mo(4), four equivalent Mo(1), one Al(3), one Al(4), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   7.628
_cell_length_c   9.804
_cell_angle_alpha   72.061
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   640.222
_cell_formula_units_Z   8
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
  Al  Al0  1  0.464  0.582  0.323  1.0
  Al  Al1  1  0.964  0.918  0.677  1.0
  Al  Al2  1  0.536  0.418  0.677  1.0
  Al  Al3  1  0.036  0.082  0.323  1.0
  Al  Al4  1  0.879  0.968  0.929  1.0
  Al  Al5  1  0.379  0.532  0.071  1.0
  Al  Al6  1  0.121  0.032  0.071  1.0
  Al  Al7  1  0.621  0.468  0.929  1.0
  Al  Al8  1  0.902  0.434  0.249  1.0
  Al  Al9  1  0.402  0.066  0.751  1.0
  Al  Al10  1  0.098  0.566  0.751  1.0
  Al  Al11  1  0.598  0.934  0.249  1.0
  Al  Al12  1  0.490  0.201  0.476  1.0
  Al  Al13  1  0.990  0.299  0.524  1.0
  Al  Al14  1  0.510  0.799  0.524  1.0
  Al  Al15  1  0.010  0.701  0.476  1.0
  Mo  Mo16  1  0.765  0.018  0.448  1.0
  Mo  Mo17  1  0.265  0.482  0.552  1.0
  Mo  Mo18  1  0.235  0.982  0.552  1.0
  Mo  Mo19  1  0.735  0.518  0.448  1.0
  Mo  Mo20  1  0.665  0.688  0.107  1.0
  Mo  Mo21  1  0.165  0.812  0.893  1.0
  Mo  Mo22  1  0.335  0.312  0.893  1.0
  Mo  Mo23  1  0.835  0.188  0.107  1.0
  Mo  Mo24  1  0.619  0.315  0.220  1.0
  Mo  Mo25  1  0.119  0.185  0.780  1.0
  Mo  Mo26  1  0.381  0.685  0.780  1.0
  Mo  Mo27  1  0.881  0.815  0.220  1.0
  Mo  Mo28  1  0.225  0.345  0.341  1.0
  Mo  Mo29  1  0.725  0.155  0.659  1.0
  Mo  Mo30  1  0.775  0.655  0.659  1.0
  Mo  Mo31  1  0.275  0.845  0.341  1.0
  Mo  Mo32  1  0.138  0.662  0.189  1.0
  Mo  Mo33  1  0.638  0.838  0.811  1.0
  Mo  Mo34  1  0.862  0.338  0.811  1.0
  Mo  Mo35  1  0.362  0.162  0.189  1.0
  Mo  Mo36  1  0.106  0.386  0.054  1.0
  Mo  Mo37  1  0.606  0.114  0.946  1.0
  Mo  Mo38  1  0.894  0.614  0.946  1.0
  Mo  Mo39  1  0.394  0.886  0.054  1.0
[/CIF]
.
The crystal structure described by Mo3Al2 is beta Plutonium-derived structured and crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Mo sites. In the first Mo site, Mo(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), two equivalent Mo(4), one Al(1), one Al(3), one Al(4), and two equivalent Al(2) atoms. In the second Mo site, Mo(6) is bonded in a 4-coordinate geometry to one Mo(4), two equivalent Mo(2), one Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. In the third Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Mo(3), two equivalent Mo(4), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(4) atoms. In the fourth Mo site, Mo(2) is bonded in a 11-coordinate geometry to one Mo(5), two equivalent Mo(3), two equivalent Mo(6), one Al(1), two equivalent Al(3), and three equivalent Al(2) atoms. In the fifth Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(5), two equivalent Mo(2), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(3) atoms. In the sixth Mo site, Mo(4) is bonded in a 11-coordinate geometry to one Mo(6), two equivalent Mo(1), two equivalent Mo(5), one Al(2), one Al(3), two equivalent Al(1), and two equivalent Al(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to one Mo(2), one Mo(3), one Mo(5), one Mo(6), two equivalent Mo(1), two equivalent Mo(4), one Al(2), one Al(3), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded to one Mo(4), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(6), three equivalent Mo(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and face-sharing AlAl2Mo10 cuboctahedra. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(6), one Al(1), and one Al(4) atom. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to one Mo(3), one Mo(5), two equivalent Mo(4), four equivalent Mo(1), one Al(3), one Al(4), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   7.628
_cell_length_c   9.804
_cell_angle_alpha   72.061
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   640.222
_cell_formula_units_Z   8
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
  Al  Al0  1  0.464  0.582  0.323  1.0
  Al  Al1  1  0.964  0.918  0.677  1.0
  Al  Al2  1  0.536  0.418  0.677  1.0
  Al  Al3  1  0.036  0.082  0.323  1.0
  Al  Al4  1  0.879  0.968  0.929  1.0
  Al  Al5  1  0.379  0.532  0.071  1.0
  Al  Al6  1  0.121  0.032  0.071  1.0
  Al  Al7  1  0.621  0.468  0.929  1.0
  Al  Al8  1  0.902  0.434  0.249  1.0
  Al  Al9  1  0.402  0.066  0.751  1.0
  Al  Al10  1  0.098  0.566  0.751  1.0
  Al  Al11  1  0.598  0.934  0.249  1.0
  Al  Al12  1  0.490  0.201  0.476  1.0
  Al  Al13  1  0.990  0.299  0.524  1.0
  Al  Al14  1  0.510  0.799  0.524  1.0
  Al  Al15  1  0.010  0.701  0.476  1.0
  Mo  Mo16  1  0.765  0.018  0.448  1.0
  Mo  Mo17  1  0.265  0.482  0.552  1.0
  Mo  Mo18  1  0.235  0.982  0.552  1.0
  Mo  Mo19  1  0.735  0.518  0.448  1.0
  Mo  Mo20  1  0.665  0.688  0.107  1.0
  Mo  Mo21  1  0.165  0.812  0.893  1.0
  Mo  Mo22  1  0.335  0.312  0.893  1.0
  Mo  Mo23  1  0.835  0.188  0.107  1.0
  Mo  Mo24  1  0.619  0.315  0.220  1.0
  Mo  Mo25  1  0.119  0.185  0.780  1.0
  Mo  Mo26  1  0.381  0.685  0.780  1.0
  Mo  Mo27  1  0.881  0.815  0.220  1.0
  Mo  Mo28  1  0.225  0.345  0.341  1.0
  Mo  Mo29  1  0.725  0.155  0.659  1.0
  Mo  Mo30  1  0.775  0.655  0.659  1.0
  Mo  Mo31  1  0.275  0.845  0.341  1.0
  Mo  Mo32  1  0.138  0.662  0.189  1.0
  Mo  Mo33  1  0.638  0.838  0.811  1.0
  Mo  Mo34  1  0.862  0.338  0.811  1.0
  Mo  Mo35  1  0.362  0.162  0.189  1.0
  Mo  Mo36  1  0.106  0.386  0.054  1.0
  Mo  Mo37  1  0.606  0.114  0.946  1.0
  Mo  Mo38  1  0.894  0.614  0.946  1.0
  Mo  Mo39  1  0.394  0.886  0.054  1.0
[/CIF]
.