The material structure described by Al5Mo crystallizes in the trigonal R-3c space group. Mo(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form MoAl12 cuboctahedra that share corners with six equivalent Mo(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al9Mo3 cuboctahedra, edges with six equivalent Mo(1)Al12 cuboctahedra, and faces with eight equivalent Al(1)Al9Mo3 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Mo(1), three equivalent Al(1), and six equivalent Al(2) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with six equivalent Mo(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al9Mo3 cuboctahedra, edges with six equivalent Al(1)Al9Mo3 cuboctahedra, faces with four equivalent Mo(1)Al12 cuboctahedra, and faces with four equivalent Al(1)Al9Mo3 cuboctahedra. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.189
_cell_length_b   9.189
_cell_length_c   9.189
_cell_angle_alpha   30.898
_cell_angle_beta   30.898
_cell_angle_gamma   30.898
_symmetry_Int_Tables_number   1
_cell_volume   181.475
_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  0.331  0.331  0.331  1.0
  Al  Al1  1  0.750  0.406  0.094  1.0
  Al  Al2  1  0.250  0.594  0.906  1.0
  Al  Al3  1  0.169  0.169  0.169  1.0
  Al  Al4  1  0.594  0.906  0.250  1.0
  Al  Al5  1  0.669  0.669  0.669  1.0
  Al  Al6  1  0.406  0.094  0.750  1.0
  Al  Al7  1  0.831  0.831  0.831  1.0
  Al  Al8  1  0.906  0.250  0.594  1.0
  Al  Al9  1  0.094  0.750  0.406  1.0
  Mo  Mo10  1  0.500  0.500  0.500  1.0
  Mo  Mo11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Al5Mo crystallizes in the trigonal R-3c space group. Mo(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form MoAl12 cuboctahedra that share corners with six equivalent Mo(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al9Mo3 cuboctahedra, edges with six equivalent Mo(1)Al12 cuboctahedra, and faces with eight equivalent Al(1)Al9Mo3 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Mo(1), three equivalent Al(1), and six equivalent Al(2) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with six equivalent Mo(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al9Mo3 cuboctahedra, edges with six equivalent Al(1)Al9Mo3 cuboctahedra, faces with four equivalent Mo(1)Al12 cuboctahedra, and faces with four equivalent Al(1)Al9Mo3 cuboctahedra. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.189
_cell_length_b   9.189
_cell_length_c   9.189
_cell_angle_alpha   30.898
_cell_angle_beta   30.898
_cell_angle_gamma   30.898
_symmetry_Int_Tables_number   1
_cell_volume   181.475
_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  0.331  0.331  0.331  1.0
  Al  Al1  1  0.750  0.406  0.094  1.0
  Al  Al2  1  0.250  0.594  0.906  1.0
  Al  Al3  1  0.169  0.169  0.169  1.0
  Al  Al4  1  0.594  0.906  0.250  1.0
  Al  Al5  1  0.669  0.669  0.669  1.0
  Al  Al6  1  0.406  0.094  0.750  1.0
  Al  Al7  1  0.831  0.831  0.831  1.0
  Al  Al8  1  0.906  0.250  0.594  1.0
  Al  Al9  1  0.094  0.750  0.406  1.0
  Mo  Mo10  1  0.500  0.500  0.500  1.0
  Mo  Mo11  1  0.000  0.000  0.000  1.0
[/CIF]
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