The compound described by IrAl3 crystallizes in the cubic Pm-3n space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to twelve equivalent Al(1) atoms to form face-sharing IrAl12 cuboctahedra. In the second Ir site, Ir(2) is bonded to twelve equivalent Al(1) atoms to form a mixture of distorted edge and face-sharing IrAl12 cuboctahedra. Al(1) is bonded in a 11-coordinate geometry to one Ir(1), three equivalent Ir(2), and seven equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.809
_cell_length_b   7.809
_cell_length_c   7.809
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.122
_cell_formula_units_Z   8
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
  Al  Al0  1  0.800  0.337  0.500  1.0
  Al  Al1  1  0.663  0.500  0.800  1.0
  Al  Al2  1  0.500  0.200  0.663  1.0
  Al  Al3  1  0.200  0.663  0.500  1.0
  Al  Al4  1  0.337  0.500  0.200  1.0
  Al  Al5  1  0.500  0.800  0.337  1.0
  Al  Al6  1  0.800  0.663  0.500  1.0
  Al  Al7  1  0.663  0.500  0.200  1.0
  Al  Al8  1  0.200  0.337  0.500  1.0
  Al  Al9  1  0.337  0.500  0.800  1.0
  Al  Al10  1  0.500  0.800  0.663  1.0
  Al  Al11  1  0.500  0.200  0.337  1.0
  Al  Al12  1  0.300  0.000  0.837  1.0
  Al  Al13  1  0.163  0.300  0.000  1.0
  Al  Al14  1  0.000  0.163  0.700  1.0
  Al  Al15  1  0.700  0.000  0.163  1.0
  Al  Al16  1  0.837  0.700  0.000  1.0
  Al  Al17  1  0.000  0.837  0.300  1.0
  Al  Al18  1  0.300  0.000  0.163  1.0
  Al  Al19  1  0.163  0.700  0.000  1.0
  Al  Al20  1  0.700  0.000  0.837  1.0
  Al  Al21  1  0.837  0.300  0.000  1.0
  Al  Al22  1  0.000  0.163  0.300  1.0
  Al  Al23  1  0.000  0.837  0.700  1.0
  Ir  Ir24  1  0.500  0.500  0.500  1.0
  Ir  Ir25  1  0.000  0.000  0.000  1.0
  Ir  Ir26  1  0.000  0.500  0.750  1.0
  Ir  Ir27  1  0.500  0.250  0.000  1.0
  Ir  Ir28  1  0.750  0.000  0.500  1.0
  Ir  Ir29  1  0.000  0.500  0.250  1.0
  Ir  Ir30  1  0.500  0.750  0.000  1.0
  Ir  Ir31  1  0.250  0.000  0.500  1.0
[/CIF]
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The compound described by IrAl3 crystallizes in the cubic Pm-3n space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to twelve equivalent Al(1) atoms to form face-sharing IrAl12 cuboctahedra. In the second Ir site, Ir(2) is bonded to twelve equivalent Al(1) atoms to form a mixture of distorted edge and face-sharing IrAl12 cuboctahedra. Al(1) is bonded in a 11-coordinate geometry to one Ir(1), three equivalent Ir(2), and seven equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.809
_cell_length_b   7.809
_cell_length_c   7.809
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.122
_cell_formula_units_Z   8
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
  Al  Al0  1  0.800  0.337  0.500  1.0
  Al  Al1  1  0.663  0.500  0.800  1.0
  Al  Al2  1  0.500  0.200  0.663  1.0
  Al  Al3  1  0.200  0.663  0.500  1.0
  Al  Al4  1  0.337  0.500  0.200  1.0
  Al  Al5  1  0.500  0.800  0.337  1.0
  Al  Al6  1  0.800  0.663  0.500  1.0
  Al  Al7  1  0.663  0.500  0.200  1.0
  Al  Al8  1  0.200  0.337  0.500  1.0
  Al  Al9  1  0.337  0.500  0.800  1.0
  Al  Al10  1  0.500  0.800  0.663  1.0
  Al  Al11  1  0.500  0.200  0.337  1.0
  Al  Al12  1  0.300  0.000  0.837  1.0
  Al  Al13  1  0.163  0.300  0.000  1.0
  Al  Al14  1  0.000  0.163  0.700  1.0
  Al  Al15  1  0.700  0.000  0.163  1.0
  Al  Al16  1  0.837  0.700  0.000  1.0
  Al  Al17  1  0.000  0.837  0.300  1.0
  Al  Al18  1  0.300  0.000  0.163  1.0
  Al  Al19  1  0.163  0.700  0.000  1.0
  Al  Al20  1  0.700  0.000  0.837  1.0
  Al  Al21  1  0.837  0.300  0.000  1.0
  Al  Al22  1  0.000  0.163  0.300  1.0
  Al  Al23  1  0.000  0.837  0.700  1.0
  Ir  Ir24  1  0.500  0.500  0.500  1.0
  Ir  Ir25  1  0.000  0.000  0.000  1.0
  Ir  Ir26  1  0.000  0.500  0.750  1.0
  Ir  Ir27  1  0.500  0.250  0.000  1.0
  Ir  Ir28  1  0.750  0.000  0.500  1.0
  Ir  Ir29  1  0.000  0.500  0.250  1.0
  Ir  Ir30  1  0.500  0.750  0.000  1.0
  Ir  Ir31  1  0.250  0.000  0.500  1.0
[/CIF]
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