The crystal structure described by CeIrAlH2 crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded in a hexagonal planar geometry to six equivalent H(1) atoms. Ir(1) is bonded to three equivalent Al(1) and two equivalent H(1) atoms to form corner-sharing IrAl3H2 trigonal bipyramids. Al(1) is bonded in a trigonal planar geometry to three equivalent Ir(1) atoms. H(1) is bonded to three equivalent Ce(1) and one Ir(1) atom to form a mixture of edge and corner-sharing HCe3Ir trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlH2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.362
_cell_length_b   4.362
_cell_length_c   8.288
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   136.586
_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
  H  H4  1  0.333  0.667  0.045  1.0
  H  H5  1  0.667  0.333  0.955  1.0
  H  H6  1  0.667  0.333  0.545  1.0
  H  H7  1  0.333  0.667  0.455  1.0
  Ir  Ir8  1  0.333  0.667  0.250  1.0
  Ir  Ir9  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by CeIrAlH2 crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded in a hexagonal planar geometry to six equivalent H(1) atoms. Ir(1) is bonded to three equivalent Al(1) and two equivalent H(1) atoms to form corner-sharing IrAl3H2 trigonal bipyramids. Al(1) is bonded in a trigonal planar geometry to three equivalent Ir(1) atoms. H(1) is bonded to three equivalent Ce(1) and one Ir(1) atom to form a mixture of edge and corner-sharing HCe3Ir trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlH2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.362
_cell_length_b   4.362
_cell_length_c   8.288
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   136.586
_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
  H  H4  1  0.333  0.667  0.045  1.0
  H  H5  1  0.667  0.333  0.955  1.0
  H  H6  1  0.667  0.333  0.545  1.0
  H  H7  1  0.333  0.667  0.455  1.0
  Ir  Ir8  1  0.333  0.667  0.250  1.0
  Ir  Ir9  1  0.667  0.333  0.750  1.0
[/CIF]
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