The crystal structure described by CeIr5 crystallizes in the cubic F-43m space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1) and twelve equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Ce(1) and twelve equivalent Ir(2) atoms to form distorted IrCe4Ir12 tetrahedra that share corners with twelve equivalent Ir(2)Ce3Ir9 cuboctahedra, faces with twenty-eight equivalent Ir(2)Ce3Ir9 cuboctahedra, and faces with twelve equivalent Ir(1)Ce4Ir12 tetrahedra. In the second Ir site, Ir(2) is bonded to three equivalent Ce(1), three equivalent Ir(1), and six equivalent Ir(2) atoms to form distorted IrCe3Ir9 cuboctahedra that share corners with eighteen equivalent Ir(2)Ce3Ir9 cuboctahedra, corners with three equivalent Ir(1)Ce4Ir12 tetrahedra, edges with six equivalent Ir(2)Ce3Ir9 cuboctahedra, faces with eighteen equivalent Ir(2)Ce3Ir9 cuboctahedra, and faces with seven equivalent Ir(1)Ce4Ir12 tetrahedra. is represented by the CIF file [CIF]
data_CeIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.266
_cell_length_b   5.266
_cell_length_c   5.266
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   103.240
_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  0.000  1.0
  Ir  Ir1  1  0.250  0.250  0.250  1.0
  Ir  Ir2  1  0.624  0.624  0.128  1.0
  Ir  Ir3  1  0.624  0.128  0.624  1.0
  Ir  Ir4  1  0.128  0.624  0.624  1.0
  Ir  Ir5  1  0.624  0.624  0.624  1.0
[/CIF]
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The crystal structure described by CeIr5 crystallizes in the cubic F-43m space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1) and twelve equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Ce(1) and twelve equivalent Ir(2) atoms to form distorted IrCe4Ir12 tetrahedra that share corners with twelve equivalent Ir(2)Ce3Ir9 cuboctahedra, faces with twenty-eight equivalent Ir(2)Ce3Ir9 cuboctahedra, and faces with twelve equivalent Ir(1)Ce4Ir12 tetrahedra. In the second Ir site, Ir(2) is bonded to three equivalent Ce(1), three equivalent Ir(1), and six equivalent Ir(2) atoms to form distorted IrCe3Ir9 cuboctahedra that share corners with eighteen equivalent Ir(2)Ce3Ir9 cuboctahedra, corners with three equivalent Ir(1)Ce4Ir12 tetrahedra, edges with six equivalent Ir(2)Ce3Ir9 cuboctahedra, faces with eighteen equivalent Ir(2)Ce3Ir9 cuboctahedra, and faces with seven equivalent Ir(1)Ce4Ir12 tetrahedra. is represented by the CIF file [CIF]
data_CeIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.266
_cell_length_b   5.266
_cell_length_c   5.266
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   103.240
_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  0.000  1.0
  Ir  Ir1  1  0.250  0.250  0.250  1.0
  Ir  Ir2  1  0.624  0.624  0.128  1.0
  Ir  Ir3  1  0.624  0.128  0.624  1.0
  Ir  Ir4  1  0.128  0.624  0.624  1.0
  Ir  Ir5  1  0.624  0.624  0.624  1.0
[/CIF]
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