The material structure described by Pr9(Ni13P6)2 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(5), four equivalent Ni(6), and four equivalent P(2) atoms. In the second Pr site, Pr(2) is bonded in a 14-coordinate geometry to two equivalent Ni(1), two equivalent Ni(5), two equivalent Ni(8), four equivalent Ni(4), and four equivalent P(2) atoms. In the third Pr site, Pr(3) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Ni(6), two equivalent Ni(7), four equivalent Ni(5), two equivalent P(1), and four equivalent P(3) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(7) is bonded in a 9-coordinate geometry to six equivalent Pr(3) and three equivalent P(3) atoms. In the second Ni site, Ni(8) is bonded in a 9-coordinate geometry to six equivalent Pr(2) and three equivalent Ni(4) atoms. In the third Ni site, Ni(1) is bonded to two equivalent Pr(2), two equivalent Pr(3), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner, face, and edge-sharing NiPr4P4 tetrahedra. In the fourth Ni site, Ni(2) is bonded in a distorted single-bond geometry to two equivalent Pr(1), four equivalent Ni(3), and one P(1) atom. In the fifth Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Pr(1), two equivalent Ni(3), two equivalent Ni(6), and four equivalent Ni(2) atoms. In the sixth Ni site, Ni(4) is bonded in a 9-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), one Ni(8), and two equivalent P(2) atoms. In the seventh Ni site, Ni(5) is bonded to one Pr(1), one Pr(2), two equivalent Pr(3), one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted corner, face, and edge-sharing NiPr4P4 tetrahedra. In the eighth Ni site, Ni(6) is bonded in a 3-coordinate geometry to one Pr(3), two equivalent Pr(1), one Ni(3), one P(2), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Pr(3), one Ni(2), two equivalent Ni(5), and four equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), one Ni(1), one Ni(4), one Ni(6), and two equivalent Ni(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Pr(3), one Ni(7), two equivalent Ni(1), and two equivalent Ni(5) atoms. is represented by the CIF card [CIF]
data_Pr9(Ni13P6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.424
_cell_length_b   14.424
_cell_length_c   3.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   698.462
_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  0.191  0.809  0.500  1.0
  Pr  Pr1  1  0.191  0.382  0.500  1.0
  Pr  Pr2  1  0.618  0.809  0.500  1.0
  Pr  Pr3  1  0.908  0.092  0.500  1.0
  Pr  Pr4  1  0.908  0.815  0.500  1.0
  Pr  Pr5  1  0.185  0.092  0.500  1.0
  Pr  Pr6  1  0.576  0.424  0.000  1.0
  Pr  Pr7  1  0.576  0.151  0.000  1.0
  Pr  Pr8  1  0.849  0.424  0.000  1.0
  Ni  Ni9  1  0.809  0.191  0.000  1.0
  Ni  Ni10  1  0.809  0.618  0.000  1.0
  Ni  Ni11  1  0.382  0.191  0.000  1.0
  Ni  Ni12  1  0.400  0.600  0.500  1.0
  Ni  Ni13  1  0.400  0.800  0.500  1.0
  Ni  Ni14  1  0.200  0.600  0.500  1.0
  Ni  Ni15  1  0.278  0.722  0.000  1.0
  Ni  Ni16  1  0.278  0.556  0.000  1.0
  Ni  Ni17  1  0.444  0.722  0.000  1.0
  Ni  Ni18  1  0.098  0.902  0.000  1.0
  Ni  Ni19  1  0.098  0.196  0.000  1.0
  Ni  Ni20  1  0.804  0.902  0.000  1.0
  Ni  Ni21  1  0.380  0.052  0.500  1.0
  Ni  Ni22  1  0.948  0.328  0.500  1.0
  Ni  Ni23  1  0.948  0.620  0.500  1.0
  Ni  Ni24  1  0.672  0.620  0.500  1.0
  Ni  Ni25  1  0.672  0.052  0.500  1.0
  Ni  Ni26  1  0.380  0.328  0.500  1.0
  Ni  Ni27  1  0.076  0.455  0.000  1.0
  Ni  Ni28  1  0.545  0.622  0.000  1.0
  Ni  Ni29  1  0.545  0.924  0.000  1.0
  Ni  Ni30  1  0.378  0.924  0.000  1.0
  Ni  Ni31  1  0.378  0.455  0.000  1.0
  Ni  Ni32  1  0.076  0.622  0.000  1.0
  Ni  Ni33  1  0.667  0.333  0.500  1.0
  Ni  Ni34  1  0.000  0.000  0.000  1.0
  P  P35  1  0.486  0.514  0.500  1.0
  P  P36  1  0.486  0.973  0.500  1.0
  P  P37  1  0.027  0.514  0.500  1.0
  P  P38  1  0.996  0.276  0.000  1.0
  P  P39  1  0.724  0.720  0.000  1.0
  P  P40  1  0.724  0.004  0.000  1.0
  P  P41  1  0.280  0.004  0.000  1.0
  P  P42  1  0.280  0.276  0.000  1.0
  P  P43  1  0.996  0.720  0.000  1.0
  P  P44  1  0.759  0.241  0.500  1.0
  P  P45  1  0.759  0.518  0.500  1.0
  P  P46  1  0.482  0.241  0.500  1.0
[/CIF]
.
The material structure described by Pr9(Ni13P6)2 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(5), four equivalent Ni(6), and four equivalent P(2) atoms. In the second Pr site, Pr(2) is bonded in a 14-coordinate geometry to two equivalent Ni(1), two equivalent Ni(5), two equivalent Ni(8), four equivalent Ni(4), and four equivalent P(2) atoms. In the third Pr site, Pr(3) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Ni(6), two equivalent Ni(7), four equivalent Ni(5), two equivalent P(1), and four equivalent P(3) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(7) is bonded in a 9-coordinate geometry to six equivalent Pr(3) and three equivalent P(3) atoms. In the second Ni site, Ni(8) is bonded in a 9-coordinate geometry to six equivalent Pr(2) and three equivalent Ni(4) atoms. In the third Ni site, Ni(1) is bonded to two equivalent Pr(2), two equivalent Pr(3), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner, face, and edge-sharing NiPr4P4 tetrahedra. In the fourth Ni site, Ni(2) is bonded in a distorted single-bond geometry to two equivalent Pr(1), four equivalent Ni(3), and one P(1) atom. In the fifth Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Pr(1), two equivalent Ni(3), two equivalent Ni(6), and four equivalent Ni(2) atoms. In the sixth Ni site, Ni(4) is bonded in a 9-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), one Ni(8), and two equivalent P(2) atoms. In the seventh Ni site, Ni(5) is bonded to one Pr(1), one Pr(2), two equivalent Pr(3), one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted corner, face, and edge-sharing NiPr4P4 tetrahedra. In the eighth Ni site, Ni(6) is bonded in a 3-coordinate geometry to one Pr(3), two equivalent Pr(1), one Ni(3), one P(2), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Pr(3), one Ni(2), two equivalent Ni(5), and four equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), one Ni(1), one Ni(4), one Ni(6), and two equivalent Ni(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Pr(3), one Ni(7), two equivalent Ni(1), and two equivalent Ni(5) atoms. is represented by the CIF card [CIF]
data_Pr9(Ni13P6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.424
_cell_length_b   14.424
_cell_length_c   3.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   698.462
_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  0.191  0.809  0.500  1.0
  Pr  Pr1  1  0.191  0.382  0.500  1.0
  Pr  Pr2  1  0.618  0.809  0.500  1.0
  Pr  Pr3  1  0.908  0.092  0.500  1.0
  Pr  Pr4  1  0.908  0.815  0.500  1.0
  Pr  Pr5  1  0.185  0.092  0.500  1.0
  Pr  Pr6  1  0.576  0.424  0.000  1.0
  Pr  Pr7  1  0.576  0.151  0.000  1.0
  Pr  Pr8  1  0.849  0.424  0.000  1.0
  Ni  Ni9  1  0.809  0.191  0.000  1.0
  Ni  Ni10  1  0.809  0.618  0.000  1.0
  Ni  Ni11  1  0.382  0.191  0.000  1.0
  Ni  Ni12  1  0.400  0.600  0.500  1.0
  Ni  Ni13  1  0.400  0.800  0.500  1.0
  Ni  Ni14  1  0.200  0.600  0.500  1.0
  Ni  Ni15  1  0.278  0.722  0.000  1.0
  Ni  Ni16  1  0.278  0.556  0.000  1.0
  Ni  Ni17  1  0.444  0.722  0.000  1.0
  Ni  Ni18  1  0.098  0.902  0.000  1.0
  Ni  Ni19  1  0.098  0.196  0.000  1.0
  Ni  Ni20  1  0.804  0.902  0.000  1.0
  Ni  Ni21  1  0.380  0.052  0.500  1.0
  Ni  Ni22  1  0.948  0.328  0.500  1.0
  Ni  Ni23  1  0.948  0.620  0.500  1.0
  Ni  Ni24  1  0.672  0.620  0.500  1.0
  Ni  Ni25  1  0.672  0.052  0.500  1.0
  Ni  Ni26  1  0.380  0.328  0.500  1.0
  Ni  Ni27  1  0.076  0.455  0.000  1.0
  Ni  Ni28  1  0.545  0.622  0.000  1.0
  Ni  Ni29  1  0.545  0.924  0.000  1.0
  Ni  Ni30  1  0.378  0.924  0.000  1.0
  Ni  Ni31  1  0.378  0.455  0.000  1.0
  Ni  Ni32  1  0.076  0.622  0.000  1.0
  Ni  Ni33  1  0.667  0.333  0.500  1.0
  Ni  Ni34  1  0.000  0.000  0.000  1.0
  P  P35  1  0.486  0.514  0.500  1.0
  P  P36  1  0.486  0.973  0.500  1.0
  P  P37  1  0.027  0.514  0.500  1.0
  P  P38  1  0.996  0.276  0.000  1.0
  P  P39  1  0.724  0.720  0.000  1.0
  P  P40  1  0.724  0.004  0.000  1.0
  P  P41  1  0.280  0.004  0.000  1.0
  P  P42  1  0.280  0.276  0.000  1.0
  P  P43  1  0.996  0.720  0.000  1.0
  P  P44  1  0.759  0.241  0.500  1.0
  P  P45  1  0.759  0.518  0.500  1.0
  P  P46  1  0.482  0.241  0.500  1.0
[/CIF]
.