The crystal structure described by PrCu5In crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cu(4), six equivalent Cu(2), and four equivalent In(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Pr(1), one Cu(4), two equivalent Cu(3), four equivalent Cu(2), and two equivalent In(1) atoms to form a mixture of edge, corner, and face-sharing CuPr3In2Cu7 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Pr(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent In(1) atoms to form a mixture of edge, corner, and face-sharing CuPr3In2Cu7 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent Pr(1), two equivalent Cu(1), two equivalent Cu(2), and three equivalent In(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Pr(1), one Cu(1), four equivalent Cu(2), and one In(1) atom. In(1) is bonded in a 14-coordinate geometry to four equivalent Pr(1), one Cu(4), two equivalent Cu(1), three equivalent Cu(3), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrInCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   8.308
_cell_length_c   10.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.686
_cell_formula_units_Z   4
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  0.756  0.058  1.0
  Pr  Pr1  1  0.750  0.244  0.942  1.0
  Pr  Pr2  1  0.750  0.744  0.558  1.0
  Pr  Pr3  1  0.250  0.256  0.442  1.0
  In  In4  1  0.250  0.640  0.361  1.0
  In  In5  1  0.750  0.360  0.639  1.0
  In  In6  1  0.750  0.860  0.861  1.0
  In  In7  1  0.250  0.140  0.139  1.0
  Cu  Cu8  1  0.250  0.818  0.745  1.0
  Cu  Cu9  1  0.750  0.182  0.255  1.0
  Cu  Cu10  1  0.750  0.682  0.245  1.0
  Cu  Cu11  1  0.250  0.318  0.755  1.0
  Cu  Cu12  1  0.499  0.567  0.813  1.0
  Cu  Cu13  1  0.501  0.433  0.187  1.0
  Cu  Cu14  1  0.501  0.933  0.313  1.0
  Cu  Cu15  1  0.999  0.433  0.187  1.0
  Cu  Cu16  1  0.499  0.067  0.687  1.0
  Cu  Cu17  1  0.001  0.567  0.813  1.0
  Cu  Cu18  1  0.001  0.067  0.687  1.0
  Cu  Cu19  1  0.999  0.933  0.313  1.0
  Cu  Cu20  1  0.250  0.561  0.609  1.0
  Cu  Cu21  1  0.750  0.439  0.391  1.0
  Cu  Cu22  1  0.750  0.939  0.109  1.0
  Cu  Cu23  1  0.250  0.061  0.891  1.0
  Cu  Cu24  1  0.250  0.917  0.515  1.0
  Cu  Cu25  1  0.750  0.083  0.485  1.0
  Cu  Cu26  1  0.750  0.583  0.015  1.0
  Cu  Cu27  1  0.250  0.417  0.985  1.0
[/CIF]
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The crystal structure described by PrCu5In crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cu(4), six equivalent Cu(2), and four equivalent In(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Pr(1), one Cu(4), two equivalent Cu(3), four equivalent Cu(2), and two equivalent In(1) atoms to form a mixture of edge, corner, and face-sharing CuPr3In2Cu7 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Pr(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent In(1) atoms to form a mixture of edge, corner, and face-sharing CuPr3In2Cu7 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent Pr(1), two equivalent Cu(1), two equivalent Cu(2), and three equivalent In(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Pr(1), one Cu(1), four equivalent Cu(2), and one In(1) atom. In(1) is bonded in a 14-coordinate geometry to four equivalent Pr(1), one Cu(4), two equivalent Cu(1), three equivalent Cu(3), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrInCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   8.308
_cell_length_c   10.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.686
_cell_formula_units_Z   4
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  0.756  0.058  1.0
  Pr  Pr1  1  0.750  0.244  0.942  1.0
  Pr  Pr2  1  0.750  0.744  0.558  1.0
  Pr  Pr3  1  0.250  0.256  0.442  1.0
  In  In4  1  0.250  0.640  0.361  1.0
  In  In5  1  0.750  0.360  0.639  1.0
  In  In6  1  0.750  0.860  0.861  1.0
  In  In7  1  0.250  0.140  0.139  1.0
  Cu  Cu8  1  0.250  0.818  0.745  1.0
  Cu  Cu9  1  0.750  0.182  0.255  1.0
  Cu  Cu10  1  0.750  0.682  0.245  1.0
  Cu  Cu11  1  0.250  0.318  0.755  1.0
  Cu  Cu12  1  0.499  0.567  0.813  1.0
  Cu  Cu13  1  0.501  0.433  0.187  1.0
  Cu  Cu14  1  0.501  0.933  0.313  1.0
  Cu  Cu15  1  0.999  0.433  0.187  1.0
  Cu  Cu16  1  0.499  0.067  0.687  1.0
  Cu  Cu17  1  0.001  0.567  0.813  1.0
  Cu  Cu18  1  0.001  0.067  0.687  1.0
  Cu  Cu19  1  0.999  0.933  0.313  1.0
  Cu  Cu20  1  0.250  0.561  0.609  1.0
  Cu  Cu21  1  0.750  0.439  0.391  1.0
  Cu  Cu22  1  0.750  0.939  0.109  1.0
  Cu  Cu23  1  0.250  0.061  0.891  1.0
  Cu  Cu24  1  0.250  0.917  0.515  1.0
  Cu  Cu25  1  0.750  0.083  0.485  1.0
  Cu  Cu26  1  0.750  0.583  0.015  1.0
  Cu  Cu27  1  0.250  0.417  0.985  1.0
[/CIF]
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