The structure described by CeIrAl crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded to six equivalent Ir(1) and six equivalent Al(1) atoms to form a mixture of edge and face-sharing CeAl6Ir6 cuboctahedra. Ir(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 Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.449
_cell_length_b   4.449
_cell_length_c   6.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.019
_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  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.333  0.667  0.750  1.0
  Al  Al3  1  0.667  0.333  0.250  1.0
  Ir  Ir4  1  0.333  0.667  0.250  1.0
  Ir  Ir5  1  0.667  0.333  0.750  1.0
[/CIF]
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The structure described by CeIrAl crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded to six equivalent Ir(1) and six equivalent Al(1) atoms to form a mixture of edge and face-sharing CeAl6Ir6 cuboctahedra. Ir(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 Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.449
_cell_length_b   4.449
_cell_length_c   6.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.019
_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  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.333  0.667  0.750  1.0
  Al  Al3  1  0.667  0.333  0.250  1.0
  Ir  Ir4  1  0.333  0.667  0.250  1.0
  Ir  Ir5  1  0.667  0.333  0.750  1.0
[/CIF]
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