The structure described by MoCuAl2 crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Cu(1) and eight equivalent Al(1) atoms to form MoAl8Cu4 cuboctahedra that share corners with four equivalent Mo(1)Al8Cu4 cuboctahedra, corners with eight equivalent Cu(1)Al8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Al8Cu4 cuboctahedra, edges with sixteen equivalent Al(1)Al4Cu4Mo4 cuboctahedra, faces with four equivalent Mo(1)Al8Cu4 cuboctahedra, faces with six equivalent Cu(1)Al8Mo4 cuboctahedra, and faces with eight equivalent Al(1)Al4Cu4Mo4 cuboctahedra. Cu(1) is bonded to four equivalent Mo(1) and eight equivalent Al(1) atoms to form CuAl8Mo4 cuboctahedra that share corners with four equivalent Cu(1)Al8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Al8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Al8Mo4 cuboctahedra, edges with sixteen equivalent Al(1)Al4Cu4Mo4 cuboctahedra, faces with four equivalent Cu(1)Al8Mo4 cuboctahedra, faces with six equivalent Mo(1)Al8Cu4 cuboctahedra, and faces with eight equivalent Al(1)Al4Cu4Mo4 cuboctahedra. Al(1) is bonded to four equivalent Mo(1), four equivalent Cu(1), and four equivalent Al(1) atoms to form distorted AlAl4Cu4Mo4 cuboctahedra that share corners with twelve equivalent Al(1)Al4Cu4Mo4 cuboctahedra, edges with eight equivalent Mo(1)Al8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Al8Mo4 cuboctahedra, edges with eight equivalent Al(1)Al4Cu4Mo4 cuboctahedra, faces with four equivalent Mo(1)Al8Cu4 cuboctahedra, faces with four equivalent Cu(1)Al8Mo4 cuboctahedra, and faces with ten equivalent Al(1)Al4Cu4Mo4 cuboctahedra. is represented by the CIF card [CIF]
data_Al2CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.770
_cell_length_b   4.770
_cell_length_c   4.770
_cell_angle_alpha   132.376
_cell_angle_beta   132.376
_cell_angle_gamma   69.636
_symmetry_Int_Tables_number   1
_cell_volume   58.090
_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
  Al  Al0  1  0.750  0.250  0.500  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by MoCuAl2 crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Cu(1) and eight equivalent Al(1) atoms to form MoAl8Cu4 cuboctahedra that share corners with four equivalent Mo(1)Al8Cu4 cuboctahedra, corners with eight equivalent Cu(1)Al8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Al8Cu4 cuboctahedra, edges with sixteen equivalent Al(1)Al4Cu4Mo4 cuboctahedra, faces with four equivalent Mo(1)Al8Cu4 cuboctahedra, faces with six equivalent Cu(1)Al8Mo4 cuboctahedra, and faces with eight equivalent Al(1)Al4Cu4Mo4 cuboctahedra. Cu(1) is bonded to four equivalent Mo(1) and eight equivalent Al(1) atoms to form CuAl8Mo4 cuboctahedra that share corners with four equivalent Cu(1)Al8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Al8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Al8Mo4 cuboctahedra, edges with sixteen equivalent Al(1)Al4Cu4Mo4 cuboctahedra, faces with four equivalent Cu(1)Al8Mo4 cuboctahedra, faces with six equivalent Mo(1)Al8Cu4 cuboctahedra, and faces with eight equivalent Al(1)Al4Cu4Mo4 cuboctahedra. Al(1) is bonded to four equivalent Mo(1), four equivalent Cu(1), and four equivalent Al(1) atoms to form distorted AlAl4Cu4Mo4 cuboctahedra that share corners with twelve equivalent Al(1)Al4Cu4Mo4 cuboctahedra, edges with eight equivalent Mo(1)Al8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Al8Mo4 cuboctahedra, edges with eight equivalent Al(1)Al4Cu4Mo4 cuboctahedra, faces with four equivalent Mo(1)Al8Cu4 cuboctahedra, faces with four equivalent Cu(1)Al8Mo4 cuboctahedra, and faces with ten equivalent Al(1)Al4Cu4Mo4 cuboctahedra. is represented by the CIF card [CIF]
data_Al2CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.770
_cell_length_b   4.770
_cell_length_c   4.770
_cell_angle_alpha   132.376
_cell_angle_beta   132.376
_cell_angle_gamma   69.636
_symmetry_Int_Tables_number   1
_cell_volume   58.090
_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
  Al  Al0  1  0.750  0.250  0.500  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
[/CIF]
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