The compound described by Pr6Ni3Sn14 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 14-coordinate geometry to four equivalent Ni(2), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(9), and four equivalent Sn(11) atoms. In the second Pr site, Pr(2) is bonded in a 14-coordinate geometry to four equivalent Ni(3), two equivalent Sn(10), two equivalent Sn(4), two equivalent Sn(6), and four equivalent Sn(12) atoms. In the third Pr site, Pr(3) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(11), two equivalent Sn(7), and four equivalent Sn(9) atoms. In the fourth Pr site, Pr(4) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Sn(12), two equivalent Sn(2), two equivalent Sn(8), and four equivalent Sn(10) atoms. In the fifth Pr site, Pr(5) is bonded to two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(8), and four equivalent Sn(13) atoms to form a mixture of distorted face and corner-sharing PrSn12 cuboctahedra. In the sixth Pr site, Pr(6) is bonded in a 13-coordinate geometry to one Ni(3), two equivalent Sn(1), two equivalent Sn(4), two equivalent Sn(6), two equivalent Sn(7), and four equivalent Sn(14) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to four equivalent Pr(4), one Sn(10), two equivalent Sn(2), and two equivalent Sn(8) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent Pr(1), one Sn(11), two equivalent Sn(3), and two equivalent Sn(5) atoms. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one Pr(6), four equivalent Pr(2), one Sn(12), two equivalent Sn(4), and two equivalent Sn(6) atoms. There are fourteen inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Pr(3), two equivalent Pr(6), two equivalent Sn(14), and four equivalent Sn(7) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Pr(4), two equivalent Pr(5), and two equivalent Ni(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(5), and two equivalent Ni(2) atoms. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to two equivalent Pr(2), two equivalent Pr(6), and two equivalent Ni(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(5), and two equivalent Ni(2) atoms. In the sixth Sn site, Sn(6) is bonded in a 6-coordinate geometry to two equivalent Pr(2), two equivalent Pr(6), and two equivalent Ni(3) atoms. In the seventh Sn site, Sn(7) is bonded in a 10-coordinate geometry to two equivalent Pr(3), two equivalent Pr(6), two equivalent Sn(14), and four equivalent Sn(1) atoms. In the eighth Sn site, Sn(8) is bonded in a 6-coordinate geometry to two equivalent Pr(4), two equivalent Pr(5), and two equivalent Ni(1) atoms. In the ninth Sn site, Sn(9) is bonded in a 8-coordinate geometry to two equivalent Pr(1), four equivalent Pr(3), and two equivalent Sn(11) atoms. In the tenth Sn site, Sn(10) is bonded in a 9-coordinate geometry to two equivalent Pr(2), four equivalent Pr(4), one Ni(1), and two equivalent Sn(12) atoms. In the eleventh Sn site, Sn(11) is bonded in a 9-coordinate geometry to two equivalent Pr(3), four equivalent Pr(1), one Ni(2), and two equivalent Sn(9) atoms. In the twelfth Sn site, Sn(12) is bonded in a 9-coordinate geometry to two equivalent Pr(4), four equivalent Pr(2), one Ni(3), and two equivalent Sn(10) atoms. In the thirteenth Sn site, Sn(13) is bonded in a square co-planar geometry to four equivalent Pr(5) atoms. In the fourteenth Sn site, Sn(14) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(6), two equivalent Sn(1), and two equivalent Sn(7) atoms. is represented by the CIF card [CIF]
data_Pr6Ni3Sn14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.583
_cell_length_b   4.578
_cell_length_c   27.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.954
_cell_formula_units_Z   1
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  0.000  0.000  0.814  1.0
  Pr  Pr1  1  0.000  0.500  0.315  1.0
  Pr  Pr2  1  0.000  0.500  0.685  1.0
  Pr  Pr3  1  0.000  0.000  0.185  1.0
  Pr  Pr4  1  0.500  0.500  0.999  1.0
  Pr  Pr5  1  0.500  0.000  0.499  1.0
  Ni  Ni6  1  0.500  0.500  0.129  1.0
  Ni  Ni7  1  0.500  0.500  0.871  1.0
  Ni  Ni8  1  0.500  0.000  0.372  1.0
  Sn  Sn9  1  0.000  0.000  0.594  1.0
  Sn  Sn10  1  0.000  0.500  0.090  1.0
  Sn  Sn11  1  0.000  0.500  0.909  1.0
  Sn  Sn12  1  0.000  0.000  0.410  1.0
  Sn  Sn13  1  0.500  0.000  0.908  1.0
  Sn  Sn14  1  0.500  0.500  0.410  1.0
  Sn  Sn15  1  0.500  0.500  0.594  1.0
  Sn  Sn16  1  0.500  0.000  0.090  1.0
  Sn  Sn17  1  0.500  0.000  0.713  1.0
  Sn  Sn18  1  0.500  0.500  0.219  1.0
  Sn  Sn19  1  0.500  0.500  0.780  1.0
  Sn  Sn20  1  0.500  0.000  0.282  1.0
  Sn  Sn21  1  0.000  0.000  1.000  1.0
  Sn  Sn22  1  0.000  0.500  0.503  1.0
[/CIF]
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The compound described by Pr6Ni3Sn14 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 14-coordinate geometry to four equivalent Ni(2), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(9), and four equivalent Sn(11) atoms. In the second Pr site, Pr(2) is bonded in a 14-coordinate geometry to four equivalent Ni(3), two equivalent Sn(10), two equivalent Sn(4), two equivalent Sn(6), and four equivalent Sn(12) atoms. In the third Pr site, Pr(3) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(11), two equivalent Sn(7), and four equivalent Sn(9) atoms. In the fourth Pr site, Pr(4) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Sn(12), two equivalent Sn(2), two equivalent Sn(8), and four equivalent Sn(10) atoms. In the fifth Pr site, Pr(5) is bonded to two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(8), and four equivalent Sn(13) atoms to form a mixture of distorted face and corner-sharing PrSn12 cuboctahedra. In the sixth Pr site, Pr(6) is bonded in a 13-coordinate geometry to one Ni(3), two equivalent Sn(1), two equivalent Sn(4), two equivalent Sn(6), two equivalent Sn(7), and four equivalent Sn(14) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to four equivalent Pr(4), one Sn(10), two equivalent Sn(2), and two equivalent Sn(8) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent Pr(1), one Sn(11), two equivalent Sn(3), and two equivalent Sn(5) atoms. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one Pr(6), four equivalent Pr(2), one Sn(12), two equivalent Sn(4), and two equivalent Sn(6) atoms. There are fourteen inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Pr(3), two equivalent Pr(6), two equivalent Sn(14), and four equivalent Sn(7) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Pr(4), two equivalent Pr(5), and two equivalent Ni(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(5), and two equivalent Ni(2) atoms. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to two equivalent Pr(2), two equivalent Pr(6), and two equivalent Ni(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(5), and two equivalent Ni(2) atoms. In the sixth Sn site, Sn(6) is bonded in a 6-coordinate geometry to two equivalent Pr(2), two equivalent Pr(6), and two equivalent Ni(3) atoms. In the seventh Sn site, Sn(7) is bonded in a 10-coordinate geometry to two equivalent Pr(3), two equivalent Pr(6), two equivalent Sn(14), and four equivalent Sn(1) atoms. In the eighth Sn site, Sn(8) is bonded in a 6-coordinate geometry to two equivalent Pr(4), two equivalent Pr(5), and two equivalent Ni(1) atoms. In the ninth Sn site, Sn(9) is bonded in a 8-coordinate geometry to two equivalent Pr(1), four equivalent Pr(3), and two equivalent Sn(11) atoms. In the tenth Sn site, Sn(10) is bonded in a 9-coordinate geometry to two equivalent Pr(2), four equivalent Pr(4), one Ni(1), and two equivalent Sn(12) atoms. In the eleventh Sn site, Sn(11) is bonded in a 9-coordinate geometry to two equivalent Pr(3), four equivalent Pr(1), one Ni(2), and two equivalent Sn(9) atoms. In the twelfth Sn site, Sn(12) is bonded in a 9-coordinate geometry to two equivalent Pr(4), four equivalent Pr(2), one Ni(3), and two equivalent Sn(10) atoms. In the thirteenth Sn site, Sn(13) is bonded in a square co-planar geometry to four equivalent Pr(5) atoms. In the fourteenth Sn site, Sn(14) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(6), two equivalent Sn(1), and two equivalent Sn(7) atoms. is represented by the CIF card [CIF]
data_Pr6Ni3Sn14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.583
_cell_length_b   4.578
_cell_length_c   27.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.954
_cell_formula_units_Z   1
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  0.000  0.000  0.814  1.0
  Pr  Pr1  1  0.000  0.500  0.315  1.0
  Pr  Pr2  1  0.000  0.500  0.685  1.0
  Pr  Pr3  1  0.000  0.000  0.185  1.0
  Pr  Pr4  1  0.500  0.500  0.999  1.0
  Pr  Pr5  1  0.500  0.000  0.499  1.0
  Ni  Ni6  1  0.500  0.500  0.129  1.0
  Ni  Ni7  1  0.500  0.500  0.871  1.0
  Ni  Ni8  1  0.500  0.000  0.372  1.0
  Sn  Sn9  1  0.000  0.000  0.594  1.0
  Sn  Sn10  1  0.000  0.500  0.090  1.0
  Sn  Sn11  1  0.000  0.500  0.909  1.0
  Sn  Sn12  1  0.000  0.000  0.410  1.0
  Sn  Sn13  1  0.500  0.000  0.908  1.0
  Sn  Sn14  1  0.500  0.500  0.410  1.0
  Sn  Sn15  1  0.500  0.500  0.594  1.0
  Sn  Sn16  1  0.500  0.000  0.090  1.0
  Sn  Sn17  1  0.500  0.000  0.713  1.0
  Sn  Sn18  1  0.500  0.500  0.219  1.0
  Sn  Sn19  1  0.500  0.500  0.780  1.0
  Sn  Sn20  1  0.500  0.000  0.282  1.0
  Sn  Sn21  1  0.000  0.000  1.000  1.0
  Sn  Sn22  1  0.000  0.500  0.503  1.0
[/CIF]
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