The material structure described by PrAl crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Pr(1), four equivalent Pr(2), two equivalent Al(1), and two equivalent Al(2) atoms to form a mixture of distorted corner, edge, and face-sharing AlPr8Al4 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Pr(1), four equivalent Pr(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_PrAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   11.844
_cell_length_c   5.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.442
_cell_formula_units_Z   8
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  0.166  0.488  0.750  1.0
  Pr  Pr1  1  0.834  0.512  0.250  1.0
  Pr  Pr2  1  0.166  0.012  0.250  1.0
  Pr  Pr3  1  0.834  0.988  0.750  1.0
  Pr  Pr4  1  0.404  0.165  0.750  1.0
  Pr  Pr5  1  0.596  0.835  0.250  1.0
  Pr  Pr6  1  0.404  0.335  0.250  1.0
  Pr  Pr7  1  0.596  0.665  0.750  1.0
  Al  Al8  1  0.927  0.250  0.500  1.0
  Al  Al9  1  0.073  0.750  0.000  1.0
  Al  Al10  1  0.073  0.750  0.500  1.0
  Al  Al11  1  0.927  0.250  0.000  1.0
  Al  Al12  1  0.668  0.397  0.750  1.0
  Al  Al13  1  0.332  0.603  0.250  1.0
  Al  Al14  1  0.668  0.103  0.250  1.0
  Al  Al15  1  0.332  0.897  0.750  1.0
[/CIF]
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The material structure described by PrAl crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Pr(1), four equivalent Pr(2), two equivalent Al(1), and two equivalent Al(2) atoms to form a mixture of distorted corner, edge, and face-sharing AlPr8Al4 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Pr(1), four equivalent Pr(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_PrAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   11.844
_cell_length_c   5.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.442
_cell_formula_units_Z   8
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  0.166  0.488  0.750  1.0
  Pr  Pr1  1  0.834  0.512  0.250  1.0
  Pr  Pr2  1  0.166  0.012  0.250  1.0
  Pr  Pr3  1  0.834  0.988  0.750  1.0
  Pr  Pr4  1  0.404  0.165  0.750  1.0
  Pr  Pr5  1  0.596  0.835  0.250  1.0
  Pr  Pr6  1  0.404  0.335  0.250  1.0
  Pr  Pr7  1  0.596  0.665  0.750  1.0
  Al  Al8  1  0.927  0.250  0.500  1.0
  Al  Al9  1  0.073  0.750  0.000  1.0
  Al  Al10  1  0.073  0.750  0.500  1.0
  Al  Al11  1  0.927  0.250  0.000  1.0
  Al  Al12  1  0.668  0.397  0.750  1.0
  Al  Al13  1  0.332  0.603  0.250  1.0
  Al  Al14  1  0.668  0.103  0.250  1.0
  Al  Al15  1  0.332  0.897  0.750  1.0
[/CIF]
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