The material structure described by AlCu4 crystallizes in the cubic P2_13 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1), six equivalent Cu(2), and three equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 3-coordinate geometry to nine equivalent Cu(2) and three equivalent Al(1) atoms. Al(1) is bonded to three equivalent Cu(1) and nine equivalent Cu(2) atoms to form a mixture of distorted face and corner-sharing AlCu12 cuboctahedra. is represented by the CIF file [CIF]
data_AlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   6.244
_cell_length_c   6.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.387
_cell_formula_units_Z   4
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  0.441  0.941  0.559  1.0
  Al  Al1  1  0.941  0.559  0.441  1.0
  Al  Al2  1  0.559  0.441  0.941  1.0
  Al  Al3  1  0.059  0.059  0.059  1.0
  Cu  Cu4  1  0.809  0.309  0.191  1.0
  Cu  Cu5  1  0.309  0.191  0.809  1.0
  Cu  Cu6  1  0.191  0.809  0.309  1.0
  Cu  Cu7  1  0.691  0.691  0.691  1.0
  Cu  Cu8  1  0.049  0.875  0.700  1.0
  Cu  Cu9  1  0.300  0.549  0.625  1.0
  Cu  Cu10  1  0.375  0.800  0.951  1.0
  Cu  Cu11  1  0.549  0.625  0.300  1.0
  Cu  Cu12  1  0.800  0.951  0.375  1.0
  Cu  Cu13  1  0.875  0.700  0.049  1.0
  Cu  Cu14  1  0.951  0.375  0.800  1.0
  Cu  Cu15  1  0.700  0.049  0.875  1.0
  Cu  Cu16  1  0.625  0.300  0.549  1.0
  Cu  Cu17  1  0.451  0.125  0.200  1.0
  Cu  Cu18  1  0.200  0.451  0.125  1.0
  Cu  Cu19  1  0.125  0.200  0.451  1.0
[/CIF]
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The material structure described by AlCu4 crystallizes in the cubic P2_13 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1), six equivalent Cu(2), and three equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 3-coordinate geometry to nine equivalent Cu(2) and three equivalent Al(1) atoms. Al(1) is bonded to three equivalent Cu(1) and nine equivalent Cu(2) atoms to form a mixture of distorted face and corner-sharing AlCu12 cuboctahedra. is represented by the CIF file [CIF]
data_AlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   6.244
_cell_length_c   6.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.387
_cell_formula_units_Z   4
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  0.441  0.941  0.559  1.0
  Al  Al1  1  0.941  0.559  0.441  1.0
  Al  Al2  1  0.559  0.441  0.941  1.0
  Al  Al3  1  0.059  0.059  0.059  1.0
  Cu  Cu4  1  0.809  0.309  0.191  1.0
  Cu  Cu5  1  0.309  0.191  0.809  1.0
  Cu  Cu6  1  0.191  0.809  0.309  1.0
  Cu  Cu7  1  0.691  0.691  0.691  1.0
  Cu  Cu8  1  0.049  0.875  0.700  1.0
  Cu  Cu9  1  0.300  0.549  0.625  1.0
  Cu  Cu10  1  0.375  0.800  0.951  1.0
  Cu  Cu11  1  0.549  0.625  0.300  1.0
  Cu  Cu12  1  0.800  0.951  0.375  1.0
  Cu  Cu13  1  0.875  0.700  0.049  1.0
  Cu  Cu14  1  0.951  0.375  0.800  1.0
  Cu  Cu15  1  0.700  0.049  0.875  1.0
  Cu  Cu16  1  0.625  0.300  0.549  1.0
  Cu  Cu17  1  0.451  0.125  0.200  1.0
  Cu  Cu18  1  0.200  0.451  0.125  1.0
  Cu  Cu19  1  0.125  0.200  0.451  1.0
[/CIF]
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