The compound described by Pr2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. Pr(1) is bonded in a 11-coordinate geometry to one Al(1), two equivalent Al(3), two equivalent Al(4), and six equivalent Al(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Al(3), two equivalent Al(4), and four equivalent Al(2) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Pr(1) and two equivalent Ir(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Pr(1), one Ir(2), and two equivalent Ir(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Ir(2), and two equivalent Ir(1) atoms. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to two equivalent Pr(1) and two equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   7.581
_cell_length_c   9.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.354
_symmetry_Int_Tables_number   1
_cell_volume   481.325
_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
  Pr  Pr0  1  0.995  0.671  0.250  1.0
  Pr  Pr1  1  0.005  0.329  0.750  1.0
  Pr  Pr2  1  0.671  0.995  0.250  1.0
  Pr  Pr3  1  0.329  0.005  0.750  1.0
  Al  Al4  1  0.132  0.132  0.250  1.0
  Al  Al5  1  0.868  0.868  0.750  1.0
  Al  Al6  1  0.004  0.335  0.072  1.0
  Al  Al7  1  0.996  0.665  0.928  1.0
  Al  Al8  1  0.996  0.665  0.572  1.0
  Al  Al9  1  0.335  0.004  0.428  1.0
  Al  Al10  1  0.004  0.335  0.428  1.0
  Al  Al11  1  0.665  0.996  0.572  1.0
  Al  Al12  1  0.665  0.996  0.928  1.0
  Al  Al13  1  0.335  0.004  0.072  1.0
  Al  Al14  1  0.335  0.335  0.544  1.0
  Al  Al15  1  0.665  0.665  0.456  1.0
  Al  Al16  1  0.665  0.665  0.044  1.0
  Al  Al17  1  0.335  0.335  0.956  1.0
  Al  Al18  1  0.339  0.545  0.250  1.0
  Al  Al19  1  0.661  0.455  0.750  1.0
  Al  Al20  1  0.545  0.339  0.250  1.0
  Al  Al21  1  0.455  0.661  0.750  1.0
  Ir  Ir22  1  0.671  0.329  0.000  1.0
  Ir  Ir23  1  0.329  0.671  0.000  1.0
  Ir  Ir24  1  0.329  0.671  0.500  1.0
  Ir  Ir25  1  0.671  0.329  0.500  1.0
  Ir  Ir26  1  0.000  0.000  0.000  1.0
  Ir  Ir27  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Pr2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. Pr(1) is bonded in a 11-coordinate geometry to one Al(1), two equivalent Al(3), two equivalent Al(4), and six equivalent Al(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Al(3), two equivalent Al(4), and four equivalent Al(2) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Pr(1) and two equivalent Ir(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Pr(1), one Ir(2), and two equivalent Ir(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Ir(2), and two equivalent Ir(1) atoms. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to two equivalent Pr(1) and two equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   7.581
_cell_length_c   9.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.354
_symmetry_Int_Tables_number   1
_cell_volume   481.325
_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
  Pr  Pr0  1  0.995  0.671  0.250  1.0
  Pr  Pr1  1  0.005  0.329  0.750  1.0
  Pr  Pr2  1  0.671  0.995  0.250  1.0
  Pr  Pr3  1  0.329  0.005  0.750  1.0
  Al  Al4  1  0.132  0.132  0.250  1.0
  Al  Al5  1  0.868  0.868  0.750  1.0
  Al  Al6  1  0.004  0.335  0.072  1.0
  Al  Al7  1  0.996  0.665  0.928  1.0
  Al  Al8  1  0.996  0.665  0.572  1.0
  Al  Al9  1  0.335  0.004  0.428  1.0
  Al  Al10  1  0.004  0.335  0.428  1.0
  Al  Al11  1  0.665  0.996  0.572  1.0
  Al  Al12  1  0.665  0.996  0.928  1.0
  Al  Al13  1  0.335  0.004  0.072  1.0
  Al  Al14  1  0.335  0.335  0.544  1.0
  Al  Al15  1  0.665  0.665  0.456  1.0
  Al  Al16  1  0.665  0.665  0.044  1.0
  Al  Al17  1  0.335  0.335  0.956  1.0
  Al  Al18  1  0.339  0.545  0.250  1.0
  Al  Al19  1  0.661  0.455  0.750  1.0
  Al  Al20  1  0.545  0.339  0.250  1.0
  Al  Al21  1  0.455  0.661  0.750  1.0
  Ir  Ir22  1  0.671  0.329  0.000  1.0
  Ir  Ir23  1  0.329  0.671  0.000  1.0
  Ir  Ir24  1  0.329  0.671  0.500  1.0
  Ir  Ir25  1  0.671  0.329  0.500  1.0
  Ir  Ir26  1  0.000  0.000  0.000  1.0
  Ir  Ir27  1  0.000  0.000  0.500  1.0
[/CIF]
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