The compound described by Ce2AuCuAl6 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), four equivalent Al(2), and four equivalent Al(4) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Au(1) is bonded in a 5-coordinate geometry to four equivalent Ce(2), one Al(3), and four equivalent Al(2) atoms. Cu(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Al(4), and four equivalent Al(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Cu(1) atoms. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Au(1) atoms. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to four equivalent Ce(2) and one Au(1) atom. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to four equivalent Ce(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Al6CuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.291
_cell_length_b   4.291
_cell_length_c   10.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.620
_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
  Ce  Ce0  1  0.000  0.000  1.000  1.0
  Ce  Ce1  1  0.500  0.500  0.491  1.0
  Al  Al2  1  0.500  0.000  0.246  1.0
  Al  Al3  1  0.000  0.500  0.759  1.0
  Al  Al4  1  0.000  0.500  0.246  1.0
  Al  Al5  1  0.500  0.000  0.759  1.0
  Al  Al6  1  0.000  0.000  0.397  1.0
  Al  Al7  1  0.500  0.500  0.912  1.0
  Cu  Cu8  1  0.500  0.500  0.134  1.0
  Au  Au9  1  0.000  0.000  0.630  1.0
[/CIF]
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The compound described by Ce2AuCuAl6 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), four equivalent Al(2), and four equivalent Al(4) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Au(1) is bonded in a 5-coordinate geometry to four equivalent Ce(2), one Al(3), and four equivalent Al(2) atoms. Cu(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Al(4), and four equivalent Al(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Cu(1) atoms. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Au(1) atoms. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to four equivalent Ce(2) and one Au(1) atom. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to four equivalent Ce(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Al6CuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.291
_cell_length_b   4.291
_cell_length_c   10.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.620
_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
  Ce  Ce0  1  0.000  0.000  1.000  1.0
  Ce  Ce1  1  0.500  0.500  0.491  1.0
  Al  Al2  1  0.500  0.000  0.246  1.0
  Al  Al3  1  0.000  0.500  0.759  1.0
  Al  Al4  1  0.000  0.500  0.246  1.0
  Al  Al5  1  0.500  0.000  0.759  1.0
  Al  Al6  1  0.000  0.000  0.397  1.0
  Al  Al7  1  0.500  0.500  0.912  1.0
  Cu  Cu8  1  0.500  0.500  0.134  1.0
  Au  Au9  1  0.000  0.000  0.630  1.0
[/CIF]
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