The crystal structure described by Pr(FeAl)6 crystallizes in the monoclinic C2/m space group. Pr(1) is bonded in a 20-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FePr2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Pr(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FePr2Al6Fe4 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FePr2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Pr(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.653
_cell_length_c   6.654
_cell_angle_alpha   135.966
_cell_angle_beta   98.071
_cell_angle_gamma   98.098
_symmetry_Int_Tables_number   1
_cell_volume   189.459
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.350  0.350  0.000  1.0
  Al  Al2  1  0.650  0.650  1.000  1.0
  Al  Al3  1  0.659  0.000  0.659  1.0
  Al  Al4  1  0.341  1.000  0.341  1.0
  Al  Al5  1  0.795  0.295  0.500  1.0
  Al  Al6  1  0.205  0.705  0.500  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.239  0.500  0.740  1.0
  Fe  Fe12  1  0.761  0.500  0.260  1.0
[/CIF]
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The crystal structure described by Pr(FeAl)6 crystallizes in the monoclinic C2/m space group. Pr(1) is bonded in a 20-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FePr2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Pr(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FePr2Al6Fe4 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FePr2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Pr(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.653
_cell_length_c   6.654
_cell_angle_alpha   135.966
_cell_angle_beta   98.071
_cell_angle_gamma   98.098
_symmetry_Int_Tables_number   1
_cell_volume   189.459
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.350  0.350  0.000  1.0
  Al  Al2  1  0.650  0.650  1.000  1.0
  Al  Al3  1  0.659  0.000  0.659  1.0
  Al  Al4  1  0.341  1.000  0.341  1.0
  Al  Al5  1  0.795  0.295  0.500  1.0
  Al  Al6  1  0.205  0.705  0.500  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.239  0.500  0.740  1.0
  Fe  Fe12  1  0.761  0.500  0.260  1.0
[/CIF]
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