The material described by PrCu4Al crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), twelve equivalent Cu(2), and three equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Pr(1), six equivalent Cu(2), and three equivalent Al(1) atoms to form distorted CuPr3Al3Cu6 cuboctahedra that share corners with twelve equivalent Cu(2)Pr4Al2Cu6 cuboctahedra, edges with six equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, faces with two equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)Pr4Al2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Pr(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Al(1) atoms to form distorted CuPr4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, corners with sixteen equivalent Cu(2)Pr4Al2Cu6 cuboctahedra, edges with ten equivalent Cu(2)Pr4Al2Cu6 cuboctahedra, faces with six equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, and faces with ten equivalent Cu(2)Pr4Al2Cu6 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to three equivalent Pr(1), three equivalent Cu(1), and six equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_PrAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.343
_cell_length_c   4.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.597
_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  0.333  0.667  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.000  1.0
  Cu  Cu3  1  0.501  0.002  0.500  1.0
  Cu  Cu4  1  0.998  0.499  0.500  1.0
  Cu  Cu5  1  0.501  0.499  0.500  1.0
[/CIF]
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The material described by PrCu4Al crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), twelve equivalent Cu(2), and three equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Pr(1), six equivalent Cu(2), and three equivalent Al(1) atoms to form distorted CuPr3Al3Cu6 cuboctahedra that share corners with twelve equivalent Cu(2)Pr4Al2Cu6 cuboctahedra, edges with six equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, faces with two equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)Pr4Al2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Pr(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Al(1) atoms to form distorted CuPr4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, corners with sixteen equivalent Cu(2)Pr4Al2Cu6 cuboctahedra, edges with ten equivalent Cu(2)Pr4Al2Cu6 cuboctahedra, faces with six equivalent Cu(1)Pr3Al3Cu6 cuboctahedra, and faces with ten equivalent Cu(2)Pr4Al2Cu6 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to three equivalent Pr(1), three equivalent Cu(1), and six equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_PrAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.343
_cell_length_c   4.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.597
_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  0.333  0.667  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.000  1.0
  Cu  Cu3  1  0.501  0.002  0.500  1.0
  Cu  Cu4  1  0.998  0.499  0.500  1.0
  Cu  Cu5  1  0.501  0.499  0.500  1.0
[/CIF]
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