The material described by Pr2Fe15Al2 crystallizes in the trigonal R-3m space group. Pr(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), nine equivalent Fe(3), and one Al(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Pr(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Al(1) atoms to form distorted FePr2Al2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Pr3AlFe8 cuboctahedra, edges with four equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, edges with six equivalent Fe(3)Pr3AlFe8 cuboctahedra, faces with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, faces with six equivalent Fe(3)Pr3AlFe8 cuboctahedra, and faces with eight equivalent Fe(2)Pr2Al2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Al(1) atoms to form distorted FePr2Al2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, corners with eight equivalent Fe(3)Pr3AlFe8 cuboctahedra, corners with twelve equivalent Fe(2)Pr2Al2Fe8 cuboctahedra,  an edgeedge with one Fe(2)Pr2Al2Fe8 cuboctahedra, edges with two equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, edges with two equivalent Fe(3)Pr3AlFe8 cuboctahedra, faces with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, faces with seven equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, and faces with ten equivalent Fe(3)Pr3AlFe8 cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Al(1) atom to form distorted FePr3AlFe8 cuboctahedra that share corners with five equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Pr3AlFe8 cuboctahedra, edges with two equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, edges with three equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, edges with five equivalent Fe(3)Pr3AlFe8 cuboctahedra, faces with three equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, faces with seven equivalent Fe(3)Pr3AlFe8 cuboctahedra, and faces with ten equivalent Fe(2)Pr2Al2Fe8 cuboctahedra. Al(1) is bonded in a 14-coordinate geometry to one Pr(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Al2Fe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.489
_cell_length_b   6.489
_cell_length_c   6.489
_cell_angle_alpha   82.266
_cell_angle_beta   82.266
_cell_angle_gamma   82.266
_symmetry_Int_Tables_number   1
_cell_volume   266.410
_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  0.652  0.652  0.652  1.0
  Pr  Pr1  1  0.348  0.348  0.348  1.0
  Al  Al2  1  0.898  0.898  0.898  1.0
  Al  Al3  1  0.102  0.102  0.102  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.713  0.287  0.000  1.0
  Fe  Fe8  1  0.000  0.713  0.287  1.0
  Fe  Fe9  1  0.287  0.000  0.713  1.0
  Fe  Fe10  1  0.000  0.287  0.713  1.0
  Fe  Fe11  1  0.713  0.000  0.287  1.0
  Fe  Fe12  1  0.287  0.713  0.000  1.0
  Fe  Fe13  1  0.340  0.340  0.845  1.0
  Fe  Fe14  1  0.845  0.340  0.340  1.0
  Fe  Fe15  1  0.340  0.845  0.340  1.0
  Fe  Fe16  1  0.660  0.660  0.155  1.0
  Fe  Fe17  1  0.155  0.660  0.660  1.0
  Fe  Fe18  1  0.660  0.155  0.660  1.0
[/CIF]
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The material described by Pr2Fe15Al2 crystallizes in the trigonal R-3m space group. Pr(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), nine equivalent Fe(3), and one Al(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Pr(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Al(1) atoms to form distorted FePr2Al2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Pr3AlFe8 cuboctahedra, edges with four equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, edges with six equivalent Fe(3)Pr3AlFe8 cuboctahedra, faces with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, faces with six equivalent Fe(3)Pr3AlFe8 cuboctahedra, and faces with eight equivalent Fe(2)Pr2Al2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Al(1) atoms to form distorted FePr2Al2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, corners with eight equivalent Fe(3)Pr3AlFe8 cuboctahedra, corners with twelve equivalent Fe(2)Pr2Al2Fe8 cuboctahedra,  an edgeedge with one Fe(2)Pr2Al2Fe8 cuboctahedra, edges with two equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, edges with two equivalent Fe(3)Pr3AlFe8 cuboctahedra, faces with four equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, faces with seven equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, and faces with ten equivalent Fe(3)Pr3AlFe8 cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Pr(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Al(1) atom to form distorted FePr3AlFe8 cuboctahedra that share corners with five equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Pr3AlFe8 cuboctahedra, edges with two equivalent Fe(2)Pr2Al2Fe8 cuboctahedra, edges with three equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, edges with five equivalent Fe(3)Pr3AlFe8 cuboctahedra, faces with three equivalent Fe(1)Pr2Al2Fe8 cuboctahedra, faces with seven equivalent Fe(3)Pr3AlFe8 cuboctahedra, and faces with ten equivalent Fe(2)Pr2Al2Fe8 cuboctahedra. Al(1) is bonded in a 14-coordinate geometry to one Pr(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Al2Fe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.489
_cell_length_b   6.489
_cell_length_c   6.489
_cell_angle_alpha   82.266
_cell_angle_beta   82.266
_cell_angle_gamma   82.266
_symmetry_Int_Tables_number   1
_cell_volume   266.410
_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  0.652  0.652  0.652  1.0
  Pr  Pr1  1  0.348  0.348  0.348  1.0
  Al  Al2  1  0.898  0.898  0.898  1.0
  Al  Al3  1  0.102  0.102  0.102  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.713  0.287  0.000  1.0
  Fe  Fe8  1  0.000  0.713  0.287  1.0
  Fe  Fe9  1  0.287  0.000  0.713  1.0
  Fe  Fe10  1  0.000  0.287  0.713  1.0
  Fe  Fe11  1  0.713  0.000  0.287  1.0
  Fe  Fe12  1  0.287  0.713  0.000  1.0
  Fe  Fe13  1  0.340  0.340  0.845  1.0
  Fe  Fe14  1  0.845  0.340  0.340  1.0
  Fe  Fe15  1  0.340  0.845  0.340  1.0
  Fe  Fe16  1  0.660  0.660  0.155  1.0
  Fe  Fe17  1  0.155  0.660  0.660  1.0
  Fe  Fe18  1  0.660  0.155  0.660  1.0
[/CIF]
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