The crystal structure described by Pr2Ni3P4 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), four equivalent P(2), and five equivalent P(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to five equivalent Pr(1), two equivalent Ni(2), and one P(2) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Pr(1), two equivalent Ni(1), two equivalent Ni(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Pr2Ni3P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.973
_cell_length_b   3.973
_cell_length_c   9.253
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.097
_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  0.500  0.000  0.763  1.0
  Pr  Pr1  1  0.000  0.500  0.237  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  P  P5  1  0.000  0.500  0.878  1.0
  P  P6  1  0.500  0.000  0.378  1.0
  P  P7  1  0.500  0.000  0.122  1.0
  P  P8  1  0.000  0.500  0.622  1.0
[/CIF]
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The crystal structure described by Pr2Ni3P4 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), four equivalent P(2), and five equivalent P(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to five equivalent Pr(1), two equivalent Ni(2), and one P(2) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Pr(1), two equivalent Ni(1), two equivalent Ni(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Pr2Ni3P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.973
_cell_length_b   3.973
_cell_length_c   9.253
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.097
_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  0.500  0.000  0.763  1.0
  Pr  Pr1  1  0.000  0.500  0.237  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  P  P5  1  0.000  0.500  0.878  1.0
  P  P6  1  0.500  0.000  0.378  1.0
  P  P7  1  0.500  0.000  0.122  1.0
  P  P8  1  0.000  0.500  0.622  1.0
[/CIF]
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