The material described by Al2Cu is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1) and eight equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.785
_cell_length_b   4.869
_cell_length_c   4.869
_cell_angle_alpha   76.028
_cell_angle_beta   60.569
_cell_angle_gamma   60.569
_symmetry_Int_Tables_number   1
_cell_volume   86.075
_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  0.159  0.500  0.183  1.0
  Al  Al1  1  0.341  0.817  0.500  1.0
  Al  Al2  1  0.659  0.183  0.500  1.0
  Al  Al3  1  0.841  0.500  0.817  1.0
  Cu  Cu4  1  0.250  0.000  0.000  1.0
  Cu  Cu5  1  0.750  0.000  0.000  1.0
[/CIF]
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The material described by Al2Cu is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1) and eight equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.785
_cell_length_b   4.869
_cell_length_c   4.869
_cell_angle_alpha   76.028
_cell_angle_beta   60.569
_cell_angle_gamma   60.569
_symmetry_Int_Tables_number   1
_cell_volume   86.075
_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  0.159  0.500  0.183  1.0
  Al  Al1  1  0.341  0.817  0.500  1.0
  Al  Al2  1  0.659  0.183  0.500  1.0
  Al  Al3  1  0.841  0.500  0.817  1.0
  Cu  Cu4  1  0.250  0.000  0.000  1.0
  Cu  Cu5  1  0.750  0.000  0.000  1.0
[/CIF]
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