The compound described by Fe2NiP crystallizes in the tetragonal I-4 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to five equivalent Ni(1) and two equivalent P(1) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 13-coordinate geometry to three equivalent Fe(2), five equivalent Fe(1), two equivalent Ni(1), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), and three equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Fe2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   6.723
_cell_length_c   6.723
_cell_angle_alpha   96.151
_cell_angle_beta   96.146
_cell_angle_gamma   141.806
_symmetry_Int_Tables_number   1
_cell_volume   177.536
_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
  Fe  Fe0  1  0.147  0.332  0.033  1.0
  Fe  Fe1  1  0.047  0.375  0.389  1.0
  Fe  Fe2  1  0.886  0.853  0.185  1.0
  Fe  Fe3  1  0.668  0.701  0.815  1.0
  Fe  Fe4  1  0.986  0.657  0.611  1.0
  Fe  Fe5  1  0.299  0.114  0.967  1.0
  Fe  Fe6  1  0.343  0.953  0.328  1.0
  Fe  Fe7  1  0.625  0.014  0.672  1.0
  Ni  Ni8  1  0.479  0.431  0.393  1.0
  Ni  Ni9  1  0.913  0.521  0.952  1.0
  Ni  Ni10  1  0.569  0.962  0.049  1.0
  Ni  Ni11  1  0.038  0.087  0.607  1.0
  P  P12  1  0.469  0.225  0.662  1.0
  P  P13  1  0.775  0.437  0.244  1.0
  P  P14  1  0.563  0.807  0.338  1.0
  P  P15  1  0.193  0.531  0.756  1.0
[/CIF]
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The compound described by Fe2NiP crystallizes in the tetragonal I-4 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to five equivalent Ni(1) and two equivalent P(1) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 13-coordinate geometry to three equivalent Fe(2), five equivalent Fe(1), two equivalent Ni(1), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), and three equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Fe2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   6.723
_cell_length_c   6.723
_cell_angle_alpha   96.151
_cell_angle_beta   96.146
_cell_angle_gamma   141.806
_symmetry_Int_Tables_number   1
_cell_volume   177.536
_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
  Fe  Fe0  1  0.147  0.332  0.033  1.0
  Fe  Fe1  1  0.047  0.375  0.389  1.0
  Fe  Fe2  1  0.886  0.853  0.185  1.0
  Fe  Fe3  1  0.668  0.701  0.815  1.0
  Fe  Fe4  1  0.986  0.657  0.611  1.0
  Fe  Fe5  1  0.299  0.114  0.967  1.0
  Fe  Fe6  1  0.343  0.953  0.328  1.0
  Fe  Fe7  1  0.625  0.014  0.672  1.0
  Ni  Ni8  1  0.479  0.431  0.393  1.0
  Ni  Ni9  1  0.913  0.521  0.952  1.0
  Ni  Ni10  1  0.569  0.962  0.049  1.0
  Ni  Ni11  1  0.038  0.087  0.607  1.0
  P  P12  1  0.469  0.225  0.662  1.0
  P  P13  1  0.775  0.437  0.244  1.0
  P  P14  1  0.563  0.807  0.338  1.0
  P  P15  1  0.193  0.531  0.756  1.0
[/CIF]
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