The structure described by Cu2Al3 crystallizes in the trigonal P-3m1 space group. Cu(1) is bonded in a body-centered cubic geometry to three equivalent Al(1) and five equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to five equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.092
_cell_length_b   4.092
_cell_length_c   4.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   72.399
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.333  0.667  0.350  1.0
  Al  Al2  1  0.667  0.333  0.650  1.0
  Cu  Cu3  1  0.333  0.667  0.840  1.0
  Cu  Cu4  1  0.667  0.333  0.160  1.0
[/CIF]
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The structure described by Cu2Al3 crystallizes in the trigonal P-3m1 space group. Cu(1) is bonded in a body-centered cubic geometry to three equivalent Al(1) and five equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to five equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.092
_cell_length_b   4.092
_cell_length_c   4.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   72.399
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.333  0.667  0.350  1.0
  Al  Al2  1  0.667  0.333  0.650  1.0
  Cu  Cu3  1  0.333  0.667  0.840  1.0
  Cu  Cu4  1  0.667  0.333  0.160  1.0
[/CIF]
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