The material described by Pr2(CuAl)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to eight equivalent Cu(2), two equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Pr site, Pr(2) is bonded in a 18-coordinate geometry to four equivalent Cu(1), eight equivalent Cu(2), two equivalent Al(2), and four equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Pr(2), four equivalent Cu(2), and four equivalent Al(1) atoms to form distorted CuPr4Al4Cu4 cuboctahedra that share corners with four equivalent Cu(1)Pr4Al4Cu4 cuboctahedra, corners with four equivalent Al(3)Pr4Al4Cu4 cuboctahedra, edges with two equivalent Cu(1)Pr4Al4Cu4 cuboctahedra, and faces with two equivalent Cu(1)Pr4Al4Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), one Cu(1), two equivalent Cu(2), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to one Pr(1), two equivalent Pr(2), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Pr(2), two equivalent Pr(1), four equivalent Cu(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded to four equivalent Pr(1), four equivalent Cu(2), and four equivalent Al(2) atoms to form AlPr4Al4Cu4 cuboctahedra that share corners with four equivalent Cu(1)Pr4Al4Cu4 cuboctahedra, corners with four equivalent Al(3)Pr4Al4Cu4 cuboctahedra, edges with two equivalent Al(3)Pr4Al4Cu4 cuboctahedra, and faces with two equivalent Al(3)Pr4Al4Cu4 cuboctahedra. is represented by the CIF file [CIF]
data_Pr2(AlCu)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   5.289
_cell_length_c   9.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.857
_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  1.000  0.000  1.0
  Pr  Pr1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.000  1.000  0.332  1.0
  Al  Al3  1  0.000  0.500  0.814  1.0
  Al  Al4  1  0.000  0.500  0.186  1.0
  Al  Al5  1  0.000  1.000  0.668  1.0
  Al  Al6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  Cu  Cu8  1  0.500  0.247  0.248  1.0
  Cu  Cu9  1  0.500  0.753  0.752  1.0
  Cu  Cu10  1  0.500  0.753  0.248  1.0
  Cu  Cu11  1  0.500  0.247  0.752  1.0
[/CIF]
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The material described by Pr2(CuAl)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to eight equivalent Cu(2), two equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Pr site, Pr(2) is bonded in a 18-coordinate geometry to four equivalent Cu(1), eight equivalent Cu(2), two equivalent Al(2), and four equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Pr(2), four equivalent Cu(2), and four equivalent Al(1) atoms to form distorted CuPr4Al4Cu4 cuboctahedra that share corners with four equivalent Cu(1)Pr4Al4Cu4 cuboctahedra, corners with four equivalent Al(3)Pr4Al4Cu4 cuboctahedra, edges with two equivalent Cu(1)Pr4Al4Cu4 cuboctahedra, and faces with two equivalent Cu(1)Pr4Al4Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), one Cu(1), two equivalent Cu(2), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to one Pr(1), two equivalent Pr(2), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Pr(2), two equivalent Pr(1), four equivalent Cu(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded to four equivalent Pr(1), four equivalent Cu(2), and four equivalent Al(2) atoms to form AlPr4Al4Cu4 cuboctahedra that share corners with four equivalent Cu(1)Pr4Al4Cu4 cuboctahedra, corners with four equivalent Al(3)Pr4Al4Cu4 cuboctahedra, edges with two equivalent Al(3)Pr4Al4Cu4 cuboctahedra, and faces with two equivalent Al(3)Pr4Al4Cu4 cuboctahedra. is represented by the CIF file [CIF]
data_Pr2(AlCu)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   5.289
_cell_length_c   9.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.857
_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  1.000  0.000  1.0
  Pr  Pr1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.000  1.000  0.332  1.0
  Al  Al3  1  0.000  0.500  0.814  1.0
  Al  Al4  1  0.000  0.500  0.186  1.0
  Al  Al5  1  0.000  1.000  0.668  1.0
  Al  Al6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  Cu  Cu8  1  0.500  0.247  0.248  1.0
  Cu  Cu9  1  0.500  0.753  0.752  1.0
  Cu  Cu10  1  0.500  0.753  0.248  1.0
  Cu  Cu11  1  0.500  0.247  0.752  1.0
[/CIF]
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