The material structure described by Al17Mo4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 11-coordinate geometry to one Al(3), one Al(6), two equivalent Al(5), three equivalent Al(9), and four equivalent Al(1) atoms. In the second Mo site, Mo(2) is bonded to one Al(2), one Al(3), one Al(5), two equivalent Al(4), two equivalent Al(6), two equivalent Al(7), and three equivalent Al(8) atoms to form MoAl12 cuboctahedra that share corners with five equivalent Mo(2)Al12 cuboctahedra, corners with five equivalent Al(8)Al9Mo3 cuboctahedra, edges with four equivalent Mo(2)Al12 cuboctahedra, and faces with four equivalent Al(8)Al9Mo3 cuboctahedra. There are nine inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to four equivalent Mo(1), one Al(3), one Al(5), two equivalent Al(1), and three equivalent Al(9) atoms. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2) and four equivalent Al(8) atoms. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Al(1), two equivalent Al(5), and two equivalent Al(6) atoms. In the fourth Al site, Al(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2), one Al(6), and three equivalent Al(8) atoms. In the fifth Al site, Al(5) is bonded in a 11-coordinate geometry to one Mo(2), two equivalent Mo(1), one Al(1), one Al(7), two equivalent Al(3), two equivalent Al(6), and two equivalent Al(9) atoms. In the sixth Al site, Al(6) is bonded in a 12-coordinate geometry to one Mo(1), two equivalent Mo(2), one Al(4), one Al(8), one Al(9), two equivalent Al(3), two equivalent Al(5), and two equivalent Al(7) atoms. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to two equivalent Mo(2), one Al(5), one Al(8), and two equivalent Al(6) atoms. In the eighth Al site, Al(8) is bonded to three equivalent Mo(2), one Al(6), one Al(7), two equivalent Al(2), two equivalent Al(8), and three equivalent Al(4) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with five equivalent Mo(2)Al12 cuboctahedra, corners with five equivalent Al(8)Al9Mo3 cuboctahedra, edges with two equivalent Al(8)Al9Mo3 cuboctahedra, faces with three equivalent Al(8)Al9Mo3 cuboctahedra, and faces with four equivalent Mo(2)Al12 cuboctahedra. In the ninth Al site, Al(9) is bonded in a 3-coordinate geometry to three equivalent Mo(1), one Al(6), two equivalent Al(5), and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al17Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.216
_cell_length_c   28.979
_cell_angle_alpha   84.145
_cell_angle_beta   84.145
_cell_angle_gamma   56.504
_symmetry_Int_Tables_number   1
_cell_volume   653.038
_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
  Al  Al0  1  0.265  0.989  0.993  1.0
  Al  Al1  1  0.307  0.693  0.250  1.0
  Al  Al2  1  0.910  0.286  0.395  1.0
  Al  Al3  1  0.205  0.860  0.799  1.0
  Al  Al4  1  0.795  0.140  0.201  1.0
  Al  Al5  1  0.860  0.205  0.299  1.0
  Al  Al6  1  0.022  0.716  0.414  1.0
  Al  Al7  1  0.714  0.090  0.105  1.0
  Al  Al8  1  0.155  0.479  0.870  1.0
  Al  Al9  1  0.140  0.795  0.701  1.0
  Al  Al10  1  0.735  0.011  0.007  1.0
  Al  Al11  1  0.733  0.390  0.844  1.0
  Al  Al12  1  0.878  0.574  0.227  1.0
  Al  Al13  1  0.122  0.426  0.773  1.0
  Al  Al14  1  0.610  0.267  0.656  1.0
  Al  Al15  1  0.978  0.284  0.586  1.0
  Al  Al16  1  0.426  0.122  0.273  1.0
  Al  Al17  1  0.286  0.910  0.895  1.0
  Al  Al18  1  0.989  0.265  0.493  1.0
  Al  Al19  1  0.390  0.733  0.344  1.0
  Al  Al20  1  0.693  0.307  0.750  1.0
  Al  Al21  1  0.716  0.022  0.914  1.0
  Al  Al22  1  0.574  0.878  0.727  1.0
  Al  Al23  1  0.789  0.465  0.946  1.0
  Al  Al24  1  0.521  0.845  0.630  1.0
  Al  Al25  1  0.535  0.211  0.554  1.0
  Al  Al26  1  0.267  0.610  0.156  1.0
  Al  Al27  1  0.090  0.714  0.605  1.0
  Al  Al28  1  0.284  0.978  0.086  1.0
  Al  Al29  1  0.011  0.735  0.507  1.0
  Al  Al30  1  0.465  0.789  0.446  1.0
  Al  Al31  1  0.479  0.155  0.370  1.0
  Al  Al32  1  0.845  0.521  0.130  1.0
  Al  Al33  1  0.211  0.535  0.054  1.0
  Mo  Mo34  1  0.472  0.752  0.541  1.0
  Mo  Mo35  1  0.642  0.951  0.820  1.0
  Mo  Mo36  1  0.951  0.642  0.320  1.0
  Mo  Mo37  1  0.358  0.049  0.180  1.0
  Mo  Mo38  1  0.528  0.248  0.459  1.0
  Mo  Mo39  1  0.049  0.358  0.680  1.0
  Mo  Mo40  1  0.248  0.528  0.959  1.0
  Mo  Mo41  1  0.752  0.472  0.041  1.0
[/CIF]
.
The material structure described by Al17Mo4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 11-coordinate geometry to one Al(3), one Al(6), two equivalent Al(5), three equivalent Al(9), and four equivalent Al(1) atoms. In the second Mo site, Mo(2) is bonded to one Al(2), one Al(3), one Al(5), two equivalent Al(4), two equivalent Al(6), two equivalent Al(7), and three equivalent Al(8) atoms to form MoAl12 cuboctahedra that share corners with five equivalent Mo(2)Al12 cuboctahedra, corners with five equivalent Al(8)Al9Mo3 cuboctahedra, edges with four equivalent Mo(2)Al12 cuboctahedra, and faces with four equivalent Al(8)Al9Mo3 cuboctahedra. There are nine inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to four equivalent Mo(1), one Al(3), one Al(5), two equivalent Al(1), and three equivalent Al(9) atoms. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2) and four equivalent Al(8) atoms. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Al(1), two equivalent Al(5), and two equivalent Al(6) atoms. In the fourth Al site, Al(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2), one Al(6), and three equivalent Al(8) atoms. In the fifth Al site, Al(5) is bonded in a 11-coordinate geometry to one Mo(2), two equivalent Mo(1), one Al(1), one Al(7), two equivalent Al(3), two equivalent Al(6), and two equivalent Al(9) atoms. In the sixth Al site, Al(6) is bonded in a 12-coordinate geometry to one Mo(1), two equivalent Mo(2), one Al(4), one Al(8), one Al(9), two equivalent Al(3), two equivalent Al(5), and two equivalent Al(7) atoms. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to two equivalent Mo(2), one Al(5), one Al(8), and two equivalent Al(6) atoms. In the eighth Al site, Al(8) is bonded to three equivalent Mo(2), one Al(6), one Al(7), two equivalent Al(2), two equivalent Al(8), and three equivalent Al(4) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with five equivalent Mo(2)Al12 cuboctahedra, corners with five equivalent Al(8)Al9Mo3 cuboctahedra, edges with two equivalent Al(8)Al9Mo3 cuboctahedra, faces with three equivalent Al(8)Al9Mo3 cuboctahedra, and faces with four equivalent Mo(2)Al12 cuboctahedra. In the ninth Al site, Al(9) is bonded in a 3-coordinate geometry to three equivalent Mo(1), one Al(6), two equivalent Al(5), and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al17Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.216
_cell_length_c   28.979
_cell_angle_alpha   84.145
_cell_angle_beta   84.145
_cell_angle_gamma   56.504
_symmetry_Int_Tables_number   1
_cell_volume   653.038
_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
  Al  Al0  1  0.265  0.989  0.993  1.0
  Al  Al1  1  0.307  0.693  0.250  1.0
  Al  Al2  1  0.910  0.286  0.395  1.0
  Al  Al3  1  0.205  0.860  0.799  1.0
  Al  Al4  1  0.795  0.140  0.201  1.0
  Al  Al5  1  0.860  0.205  0.299  1.0
  Al  Al6  1  0.022  0.716  0.414  1.0
  Al  Al7  1  0.714  0.090  0.105  1.0
  Al  Al8  1  0.155  0.479  0.870  1.0
  Al  Al9  1  0.140  0.795  0.701  1.0
  Al  Al10  1  0.735  0.011  0.007  1.0
  Al  Al11  1  0.733  0.390  0.844  1.0
  Al  Al12  1  0.878  0.574  0.227  1.0
  Al  Al13  1  0.122  0.426  0.773  1.0
  Al  Al14  1  0.610  0.267  0.656  1.0
  Al  Al15  1  0.978  0.284  0.586  1.0
  Al  Al16  1  0.426  0.122  0.273  1.0
  Al  Al17  1  0.286  0.910  0.895  1.0
  Al  Al18  1  0.989  0.265  0.493  1.0
  Al  Al19  1  0.390  0.733  0.344  1.0
  Al  Al20  1  0.693  0.307  0.750  1.0
  Al  Al21  1  0.716  0.022  0.914  1.0
  Al  Al22  1  0.574  0.878  0.727  1.0
  Al  Al23  1  0.789  0.465  0.946  1.0
  Al  Al24  1  0.521  0.845  0.630  1.0
  Al  Al25  1  0.535  0.211  0.554  1.0
  Al  Al26  1  0.267  0.610  0.156  1.0
  Al  Al27  1  0.090  0.714  0.605  1.0
  Al  Al28  1  0.284  0.978  0.086  1.0
  Al  Al29  1  0.011  0.735  0.507  1.0
  Al  Al30  1  0.465  0.789  0.446  1.0
  Al  Al31  1  0.479  0.155  0.370  1.0
  Al  Al32  1  0.845  0.521  0.130  1.0
  Al  Al33  1  0.211  0.535  0.054  1.0
  Mo  Mo34  1  0.472  0.752  0.541  1.0
  Mo  Mo35  1  0.642  0.951  0.820  1.0
  Mo  Mo36  1  0.951  0.642  0.320  1.0
  Mo  Mo37  1  0.358  0.049  0.180  1.0
  Mo  Mo38  1  0.528  0.248  0.459  1.0
  Mo  Mo39  1  0.049  0.358  0.680  1.0
  Mo  Mo40  1  0.248  0.528  0.959  1.0
  Mo  Mo41  1  0.752  0.472  0.041  1.0
[/CIF]
.