The compound described by Pr5Sn4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the third Pr site, Pr(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form corner-sharing PrSn6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Pr(1), two equivalent Pr(3), four equivalent Pr(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Pr(3), three equivalent Pr(1), and four equivalent Pr(2) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), four equivalent Pr(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Pr5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.349
_cell_length_b   8.543
_cell_length_c   16.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1154.015
_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  0.368  0.836  0.880  1.0
  Pr  Pr1  1  0.868  0.664  0.620  1.0
  Pr  Pr2  1  0.632  0.164  0.380  1.0
  Pr  Pr3  1  0.132  0.336  0.120  1.0
  Pr  Pr4  1  0.632  0.164  0.120  1.0
  Pr  Pr5  1  0.132  0.336  0.380  1.0
  Pr  Pr6  1  0.368  0.836  0.620  1.0
  Pr  Pr7  1  0.868  0.664  0.880  1.0
  Pr  Pr8  1  0.519  0.317  0.900  1.0
  Pr  Pr9  1  0.019  0.183  0.600  1.0
  Pr  Pr10  1  0.481  0.683  0.400  1.0
  Pr  Pr11  1  0.981  0.817  0.100  1.0
  Pr  Pr12  1  0.481  0.683  0.100  1.0
  Pr  Pr13  1  0.981  0.817  0.400  1.0
  Pr  Pr14  1  0.519  0.317  0.600  1.0
  Pr  Pr15  1  0.019  0.183  0.900  1.0
  Pr  Pr16  1  0.197  0.501  0.750  1.0
  Pr  Pr17  1  0.697  0.999  0.750  1.0
  Pr  Pr18  1  0.803  0.499  0.250  1.0
  Pr  Pr19  1  0.303  0.001  0.250  1.0
  Sn  Sn20  1  0.290  0.033  0.043  1.0
  Sn  Sn21  1  0.790  0.467  0.457  1.0
  Sn  Sn22  1  0.710  0.967  0.543  1.0
  Sn  Sn23  1  0.210  0.533  0.957  1.0
  Sn  Sn24  1  0.710  0.967  0.957  1.0
  Sn  Sn25  1  0.210  0.533  0.543  1.0
  Sn  Sn26  1  0.290  0.033  0.457  1.0
  Sn  Sn27  1  0.790  0.467  0.043  1.0
  Sn  Sn28  1  0.568  0.616  0.750  1.0
  Sn  Sn29  1  0.068  0.884  0.750  1.0
  Sn  Sn30  1  0.432  0.384  0.250  1.0
  Sn  Sn31  1  0.932  0.116  0.250  1.0
  Sn  Sn32  1  0.321  0.142  0.750  1.0
  Sn  Sn33  1  0.821  0.358  0.750  1.0
  Sn  Sn34  1  0.679  0.858  0.250  1.0
  Sn  Sn35  1  0.179  0.642  0.250  1.0
[/CIF]
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The compound described by Pr5Sn4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the third Pr site, Pr(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form corner-sharing PrSn6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Pr(1), two equivalent Pr(3), four equivalent Pr(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Pr(3), three equivalent Pr(1), and four equivalent Pr(2) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), four equivalent Pr(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Pr5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.349
_cell_length_b   8.543
_cell_length_c   16.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1154.015
_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  0.368  0.836  0.880  1.0
  Pr  Pr1  1  0.868  0.664  0.620  1.0
  Pr  Pr2  1  0.632  0.164  0.380  1.0
  Pr  Pr3  1  0.132  0.336  0.120  1.0
  Pr  Pr4  1  0.632  0.164  0.120  1.0
  Pr  Pr5  1  0.132  0.336  0.380  1.0
  Pr  Pr6  1  0.368  0.836  0.620  1.0
  Pr  Pr7  1  0.868  0.664  0.880  1.0
  Pr  Pr8  1  0.519  0.317  0.900  1.0
  Pr  Pr9  1  0.019  0.183  0.600  1.0
  Pr  Pr10  1  0.481  0.683  0.400  1.0
  Pr  Pr11  1  0.981  0.817  0.100  1.0
  Pr  Pr12  1  0.481  0.683  0.100  1.0
  Pr  Pr13  1  0.981  0.817  0.400  1.0
  Pr  Pr14  1  0.519  0.317  0.600  1.0
  Pr  Pr15  1  0.019  0.183  0.900  1.0
  Pr  Pr16  1  0.197  0.501  0.750  1.0
  Pr  Pr17  1  0.697  0.999  0.750  1.0
  Pr  Pr18  1  0.803  0.499  0.250  1.0
  Pr  Pr19  1  0.303  0.001  0.250  1.0
  Sn  Sn20  1  0.290  0.033  0.043  1.0
  Sn  Sn21  1  0.790  0.467  0.457  1.0
  Sn  Sn22  1  0.710  0.967  0.543  1.0
  Sn  Sn23  1  0.210  0.533  0.957  1.0
  Sn  Sn24  1  0.710  0.967  0.957  1.0
  Sn  Sn25  1  0.210  0.533  0.543  1.0
  Sn  Sn26  1  0.290  0.033  0.457  1.0
  Sn  Sn27  1  0.790  0.467  0.043  1.0
  Sn  Sn28  1  0.568  0.616  0.750  1.0
  Sn  Sn29  1  0.068  0.884  0.750  1.0
  Sn  Sn30  1  0.432  0.384  0.250  1.0
  Sn  Sn31  1  0.932  0.116  0.250  1.0
  Sn  Sn32  1  0.321  0.142  0.750  1.0
  Sn  Sn33  1  0.821  0.358  0.750  1.0
  Sn  Sn34  1  0.679  0.858  0.250  1.0
  Sn  Sn35  1  0.179  0.642  0.250  1.0
[/CIF]
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