The material described by Al5Mo crystallizes in the hexagonal P6_322 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the second Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. In the second Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. In the third Al site, Al(2) is bonded to three equivalent Mo(1); three equivalent Al(3); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with nine Mo(1,1)Al12 cuboctahedra; corners with nine equivalent Al(3)Al9Mo3 cuboctahedra; edges with six equivalent Al(2)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with two equivalent Al(2)Al9Mo3 cuboctahedra; faces with three equivalent Mo(1)Al12 cuboctahedra; faces with three equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the fourth Al site, Al(3) is bonded to three equivalent Mo(1); three equivalent Al(2); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Al12 cuboctahedra; corners with six equivalent Al(3)Al9Mo3 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five Mo(1,1)Al12 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the fifth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra. In the sixth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra. is represented by the CIF file [CIF]
data_Al5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.868
_cell_length_b   4.868
_cell_length_c   8.831
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   181.211
_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  0.663  0.000  0.250  1.0
  Al  Al1  1  0.000  0.663  0.250  1.0
  Al  Al2  1  0.663  0.663  0.750  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Al  Al4  1  0.337  0.000  0.750  1.0
  Al  Al5  1  0.667  0.333  0.500  1.0
  Al  Al6  1  0.337  0.337  0.250  1.0
  Al  Al7  1  0.000  0.000  0.500  1.0
  Al  Al8  1  0.333  0.667  0.000  1.0
  Al  Al9  1  0.000  0.337  0.750  1.0
  Mo  Mo10  1  0.333  0.667  0.500  1.0
  Mo  Mo11  1  0.667  0.333  0.000  1.0
[/CIF]
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The material described by Al5Mo crystallizes in the hexagonal P6_322 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the second Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. In the second Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. In the third Al site, Al(2) is bonded to three equivalent Mo(1); three equivalent Al(3); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with nine Mo(1,1)Al12 cuboctahedra; corners with nine equivalent Al(3)Al9Mo3 cuboctahedra; edges with six equivalent Al(2)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with two equivalent Al(2)Al9Mo3 cuboctahedra; faces with three equivalent Mo(1)Al12 cuboctahedra; faces with three equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the fourth Al site, Al(3) is bonded to three equivalent Mo(1); three equivalent Al(2); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Al12 cuboctahedra; corners with six equivalent Al(3)Al9Mo3 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five Mo(1,1)Al12 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the fifth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra. In the sixth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra. is represented by the CIF file [CIF]
data_Al5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.868
_cell_length_b   4.868
_cell_length_c   8.831
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   181.211
_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  0.663  0.000  0.250  1.0
  Al  Al1  1  0.000  0.663  0.250  1.0
  Al  Al2  1  0.663  0.663  0.750  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Al  Al4  1  0.337  0.000  0.750  1.0
  Al  Al5  1  0.667  0.333  0.500  1.0
  Al  Al6  1  0.337  0.337  0.250  1.0
  Al  Al7  1  0.000  0.000  0.500  1.0
  Al  Al8  1  0.333  0.667  0.000  1.0
  Al  Al9  1  0.000  0.337  0.750  1.0
  Mo  Mo10  1  0.333  0.667  0.500  1.0
  Mo  Mo11  1  0.667  0.333  0.000  1.0
[/CIF]
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