The material structure described by PrCoAl4 crystallizes in the orthorhombic Pmma space group. Pr(1) is bonded in a 13-coordinate geometry to one Co(1), two equivalent Al(1), two equivalent Al(2), and eight equivalent Al(3) atoms. Co(1) is bonded in a 9-coordinate geometry to one Pr(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to two equivalent Pr(1), two equivalent Co(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Co(1), four equivalent Al(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Pr(1), two equivalent Co(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   4.017
_cell_length_c   6.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.165
_cell_formula_units_Z   2
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  0.250  0.000  0.385  1.0
  Pr  Pr1  1  0.750  0.000  0.615  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.250  0.500  0.041  1.0
  Al  Al5  1  0.571  0.500  0.295  1.0
  Al  Al6  1  0.929  0.500  0.295  1.0
  Al  Al7  1  0.071  0.500  0.705  1.0
  Al  Al8  1  0.429  0.500  0.705  1.0
  Al  Al9  1  0.750  0.500  0.959  1.0
  Co  Co10  1  0.750  0.000  0.182  1.0
  Co  Co11  1  0.250  0.000  0.818  1.0
[/CIF]
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The material structure described by PrCoAl4 crystallizes in the orthorhombic Pmma space group. Pr(1) is bonded in a 13-coordinate geometry to one Co(1), two equivalent Al(1), two equivalent Al(2), and eight equivalent Al(3) atoms. Co(1) is bonded in a 9-coordinate geometry to one Pr(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to two equivalent Pr(1), two equivalent Co(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Co(1), four equivalent Al(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Pr(1), two equivalent Co(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   4.017
_cell_length_c   6.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.165
_cell_formula_units_Z   2
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  0.250  0.000  0.385  1.0
  Pr  Pr1  1  0.750  0.000  0.615  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.250  0.500  0.041  1.0
  Al  Al5  1  0.571  0.500  0.295  1.0
  Al  Al6  1  0.929  0.500  0.295  1.0
  Al  Al7  1  0.071  0.500  0.705  1.0
  Al  Al8  1  0.429  0.500  0.705  1.0
  Al  Al9  1  0.750  0.500  0.959  1.0
  Co  Co10  1  0.750  0.000  0.182  1.0
  Co  Co11  1  0.250  0.000  0.818  1.0
[/CIF]
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