The crystal structure described by CoCu3Al6 crystallizes in the trigonal P3m1 space group. Co(1) is bonded in a 8-coordinate geometry to one Al(1), one Al(2), three equivalent Al(3), and three equivalent Al(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a body-centered cubic geometry to one Al(1), one Al(2), three equivalent Al(4), and three equivalent Al(5) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Al(3), one Al(4), three equivalent Al(1), and three equivalent Al(5) atoms. In the third Cu site, Cu(3) is bonded in a distorted body-centered cubic geometry to one Al(3), one Al(4), three equivalent Al(2), and three equivalent Al(6) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Co(1), one Cu(1), and three equivalent Cu(2) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to one Co(1), one Cu(1), and three equivalent Cu(3) atoms. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to three equivalent Co(1), one Cu(2), and one Cu(3) atom. In the fourth Al site, Al(4) is bonded in a 5-coordinate geometry to one Cu(2), one Cu(3), and three equivalent Cu(1) atoms. In the fifth Al site, Al(5) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent Cu(2) atoms. In the sixth Al site, Al(6) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Cu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al6CoCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.076
_cell_length_b   4.076
_cell_length_c   9.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.361
_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  0.667  0.333  0.189  1.0
  Al  Al1  1  0.667  0.333  0.672  1.0
  Al  Al2  1  0.000  0.000  0.329  1.0
  Al  Al3  1  0.000  0.000  0.823  1.0
  Al  Al4  1  0.333  0.667  0.005  1.0
  Al  Al5  1  0.333  0.667  0.473  1.0
  Co  Co6  1  0.667  0.333  0.430  1.0
  Cu  Cu7  1  0.667  0.333  0.926  1.0
  Cu  Cu8  1  0.000  0.000  0.076  1.0
  Cu  Cu9  1  0.000  0.000  0.576  1.0
[/CIF]
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The crystal structure described by CoCu3Al6 crystallizes in the trigonal P3m1 space group. Co(1) is bonded in a 8-coordinate geometry to one Al(1), one Al(2), three equivalent Al(3), and three equivalent Al(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a body-centered cubic geometry to one Al(1), one Al(2), three equivalent Al(4), and three equivalent Al(5) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to one Al(3), one Al(4), three equivalent Al(1), and three equivalent Al(5) atoms. In the third Cu site, Cu(3) is bonded in a distorted body-centered cubic geometry to one Al(3), one Al(4), three equivalent Al(2), and three equivalent Al(6) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Co(1), one Cu(1), and three equivalent Cu(2) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to one Co(1), one Cu(1), and three equivalent Cu(3) atoms. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to three equivalent Co(1), one Cu(2), and one Cu(3) atom. In the fourth Al site, Al(4) is bonded in a 5-coordinate geometry to one Cu(2), one Cu(3), and three equivalent Cu(1) atoms. In the fifth Al site, Al(5) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent Cu(2) atoms. In the sixth Al site, Al(6) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Cu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al6CoCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.076
_cell_length_b   4.076
_cell_length_c   9.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.361
_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  0.667  0.333  0.189  1.0
  Al  Al1  1  0.667  0.333  0.672  1.0
  Al  Al2  1  0.000  0.000  0.329  1.0
  Al  Al3  1  0.000  0.000  0.823  1.0
  Al  Al4  1  0.333  0.667  0.005  1.0
  Al  Al5  1  0.333  0.667  0.473  1.0
  Co  Co6  1  0.667  0.333  0.430  1.0
  Cu  Cu7  1  0.667  0.333  0.926  1.0
  Cu  Cu8  1  0.000  0.000  0.076  1.0
  Cu  Cu9  1  0.000  0.000  0.576  1.0
[/CIF]
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