The compound described by PrCu5Sn 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 Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Pr(1), one Cu(3), two equivalent Cu(4), four equivalent Cu(2), and two equivalent Sn(1) atoms to form a mixture of corner, edge, and face-sharing CuPr3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Pr(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Sn(1) atoms to form a mixture of corner, edge, and face-sharing CuPr3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Pr(1), one Cu(1), one Cu(4), four equivalent Cu(2), and one Sn(1) atom. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to three equivalent Pr(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Pr(1), one Cu(3), two equivalent Cu(1), three equivalent Cu(4), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   8.361
_cell_length_c   10.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   453.506
_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  0.750  0.745  0.439  1.0
  Pr  Pr1  1  0.250  0.255  0.561  1.0
  Pr  Pr2  1  0.250  0.755  0.939  1.0
  Pr  Pr3  1  0.750  0.245  0.061  1.0
  Cu  Cu4  1  0.750  0.685  0.755  1.0
  Cu  Cu5  1  0.250  0.315  0.245  1.0
  Cu  Cu6  1  0.250  0.815  0.255  1.0
  Cu  Cu7  1  0.750  0.185  0.745  1.0
  Cu  Cu8  1  0.501  0.934  0.687  1.0
  Cu  Cu9  1  0.499  0.066  0.313  1.0
  Cu  Cu10  1  0.499  0.566  0.187  1.0
  Cu  Cu11  1  0.001  0.066  0.313  1.0
  Cu  Cu12  1  0.501  0.434  0.813  1.0
  Cu  Cu13  1  0.999  0.934  0.687  1.0
  Cu  Cu14  1  0.999  0.434  0.813  1.0
  Cu  Cu15  1  0.001  0.566  0.187  1.0
  Cu  Cu16  1  0.750  0.584  0.983  1.0
  Cu  Cu17  1  0.250  0.416  0.017  1.0
  Cu  Cu18  1  0.250  0.916  0.483  1.0
  Cu  Cu19  1  0.750  0.084  0.517  1.0
  Cu  Cu20  1  0.750  0.939  0.894  1.0
  Cu  Cu21  1  0.250  0.061  0.106  1.0
  Cu  Cu22  1  0.250  0.561  0.394  1.0
  Cu  Cu23  1  0.750  0.439  0.606  1.0
  Sn  Sn24  1  0.750  0.858  0.139  1.0
  Sn  Sn25  1  0.250  0.142  0.861  1.0
  Sn  Sn26  1  0.250  0.642  0.639  1.0
  Sn  Sn27  1  0.750  0.358  0.361  1.0
[/CIF]
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The compound described by PrCu5Sn 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 Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Pr(1), one Cu(3), two equivalent Cu(4), four equivalent Cu(2), and two equivalent Sn(1) atoms to form a mixture of corner, edge, and face-sharing CuPr3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Pr(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Sn(1) atoms to form a mixture of corner, edge, and face-sharing CuPr3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Pr(1), one Cu(1), one Cu(4), four equivalent Cu(2), and one Sn(1) atom. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to three equivalent Pr(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Pr(1), one Cu(3), two equivalent Cu(1), three equivalent Cu(4), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   8.361
_cell_length_c   10.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   453.506
_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  0.750  0.745  0.439  1.0
  Pr  Pr1  1  0.250  0.255  0.561  1.0
  Pr  Pr2  1  0.250  0.755  0.939  1.0
  Pr  Pr3  1  0.750  0.245  0.061  1.0
  Cu  Cu4  1  0.750  0.685  0.755  1.0
  Cu  Cu5  1  0.250  0.315  0.245  1.0
  Cu  Cu6  1  0.250  0.815  0.255  1.0
  Cu  Cu7  1  0.750  0.185  0.745  1.0
  Cu  Cu8  1  0.501  0.934  0.687  1.0
  Cu  Cu9  1  0.499  0.066  0.313  1.0
  Cu  Cu10  1  0.499  0.566  0.187  1.0
  Cu  Cu11  1  0.001  0.066  0.313  1.0
  Cu  Cu12  1  0.501  0.434  0.813  1.0
  Cu  Cu13  1  0.999  0.934  0.687  1.0
  Cu  Cu14  1  0.999  0.434  0.813  1.0
  Cu  Cu15  1  0.001  0.566  0.187  1.0
  Cu  Cu16  1  0.750  0.584  0.983  1.0
  Cu  Cu17  1  0.250  0.416  0.017  1.0
  Cu  Cu18  1  0.250  0.916  0.483  1.0
  Cu  Cu19  1  0.750  0.084  0.517  1.0
  Cu  Cu20  1  0.750  0.939  0.894  1.0
  Cu  Cu21  1  0.250  0.061  0.106  1.0
  Cu  Cu22  1  0.250  0.561  0.394  1.0
  Cu  Cu23  1  0.750  0.439  0.606  1.0
  Sn  Sn24  1  0.750  0.858  0.139  1.0
  Sn  Sn25  1  0.250  0.142  0.861  1.0
  Sn  Sn26  1  0.250  0.642  0.639  1.0
  Sn  Sn27  1  0.750  0.358  0.361  1.0
[/CIF]
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