The compound described by PrNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing PrNi6P6 cuboctahedra. In the second Pr site, Pr(2) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing PrNi6P6 cuboctahedra. Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent Pr(1), three equivalent Pr(2), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Pr(1), three equivalent Pr(2), and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.966
_cell_length_c   16.398
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   223.381
_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  0.000  0.000  0.500  1.0
  Pr  Pr1  1  0.000  0.000  0.000  1.0
  Pr  Pr2  1  0.000  0.000  0.250  1.0
  Pr  Pr3  1  0.000  0.000  0.750  1.0
  Ni  Ni4  1  0.333  0.667  0.376  1.0
  Ni  Ni5  1  0.667  0.333  0.624  1.0
  Ni  Ni6  1  0.667  0.333  0.876  1.0
  Ni  Ni7  1  0.333  0.667  0.124  1.0
  P  P8  1  0.333  0.667  0.875  1.0
  P  P9  1  0.667  0.333  0.125  1.0
  P  P10  1  0.667  0.333  0.375  1.0
  P  P11  1  0.333  0.667  0.625  1.0
[/CIF]
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The compound described by PrNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing PrNi6P6 cuboctahedra. In the second Pr site, Pr(2) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing PrNi6P6 cuboctahedra. Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent Pr(1), three equivalent Pr(2), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Pr(1), three equivalent Pr(2), and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.966
_cell_length_c   16.398
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   223.381
_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  0.000  0.000  0.500  1.0
  Pr  Pr1  1  0.000  0.000  0.000  1.0
  Pr  Pr2  1  0.000  0.000  0.250  1.0
  Pr  Pr3  1  0.000  0.000  0.750  1.0
  Ni  Ni4  1  0.333  0.667  0.376  1.0
  Ni  Ni5  1  0.667  0.333  0.624  1.0
  Ni  Ni6  1  0.667  0.333  0.876  1.0
  Ni  Ni7  1  0.333  0.667  0.124  1.0
  P  P8  1  0.333  0.667  0.875  1.0
  P  P9  1  0.667  0.333  0.125  1.0
  P  P10  1  0.667  0.333  0.375  1.0
  P  P11  1  0.333  0.667  0.625  1.0
[/CIF]
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