The material described by CeAuAl crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded to six equivalent Au(1) and six equivalent Al(1) atoms to form a mixture of face and edge-sharing CeAl6Au6 cuboctahedra. Au(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1) and three equivalent Al(1) atoms. Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Ce(1) and three equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_CeAlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.523
_cell_length_b   4.523
_cell_length_c   7.564
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   133.995
_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
  Ce  Ce0  1  1.000  0.000  0.500  1.0
  Ce  Ce1  1  1.000  0.000  0.000  1.0
  Al  Al2  1  0.667  0.333  0.250  1.0
  Al  Al3  1  0.333  0.667  0.750  1.0
  Au  Au4  1  0.667  0.333  0.750  1.0
  Au  Au5  1  0.333  0.667  0.250  1.0
[/CIF]
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The material described by CeAuAl crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded to six equivalent Au(1) and six equivalent Al(1) atoms to form a mixture of face and edge-sharing CeAl6Au6 cuboctahedra. Au(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1) and three equivalent Al(1) atoms. Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Ce(1) and three equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_CeAlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.523
_cell_length_b   4.523
_cell_length_c   7.564
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   133.995
_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
  Ce  Ce0  1  1.000  0.000  0.500  1.0
  Ce  Ce1  1  1.000  0.000  0.000  1.0
  Al  Al2  1  0.667  0.333  0.250  1.0
  Al  Al3  1  0.333  0.667  0.750  1.0
  Au  Au4  1  0.667  0.333  0.750  1.0
  Au  Au5  1  0.333  0.667  0.250  1.0
[/CIF]
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