The structure described by Fe3Ni3P2 crystallizes in the monoclinic C2 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Ni(2), three equivalent Ni(1), one P(1), and one P(2) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), one P(1), and one P(2) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), three equivalent Fe(1), one Ni(3), two equivalent Ni(1), one P(2), and two equivalent P(1) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Fe(3), two equivalent Fe(1), three equivalent Fe(2), two equivalent Ni(2), two equivalent Ni(3), one P(1), and two equivalent P(2) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), two equivalent P(1), and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), one Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3Ni3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.707
_cell_length_b   6.707
_cell_length_c   8.963
_cell_angle_alpha   48.195
_cell_angle_beta   48.195
_cell_angle_gamma   38.277
_symmetry_Int_Tables_number   1
_cell_volume   176.977
_cell_formula_units_Z   2
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  0.663  0.125  0.028  1.0
  Fe  Fe1  1  0.875  0.337  0.972  1.0
  Fe  Fe2  1  0.154  0.695  0.183  1.0
  Fe  Fe3  1  0.305  0.846  0.817  1.0
  Fe  Fe4  1  0.990  0.944  0.670  1.0
  Fe  Fe5  1  0.056  0.010  0.330  1.0
  Ni  Ni6  1  0.032  0.528  0.051  1.0
  Ni  Ni7  1  0.472  0.968  0.949  1.0
  Ni  Ni8  1  0.578  0.082  0.390  1.0
  Ni  Ni9  1  0.918  0.422  0.610  1.0
  Ni  Ni10  1  0.616  0.657  0.394  1.0
  Ni  Ni11  1  0.343  0.384  0.606  1.0
  P  P12  1  0.470  0.437  0.757  1.0
  P  P13  1  0.563  0.530  0.243  1.0
  P  P14  1  0.192  0.225  0.340  1.0
  P  P15  1  0.775  0.808  0.660  1.0
[/CIF]
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The structure described by Fe3Ni3P2 crystallizes in the monoclinic C2 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Ni(2), three equivalent Ni(1), one P(1), and one P(2) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), one P(1), and one P(2) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), three equivalent Fe(1), one Ni(3), two equivalent Ni(1), one P(2), and two equivalent P(1) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Fe(3), two equivalent Fe(1), three equivalent Fe(2), two equivalent Ni(2), two equivalent Ni(3), one P(1), and two equivalent P(2) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), two equivalent P(1), and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), one Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3Ni3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.707
_cell_length_b   6.707
_cell_length_c   8.963
_cell_angle_alpha   48.195
_cell_angle_beta   48.195
_cell_angle_gamma   38.277
_symmetry_Int_Tables_number   1
_cell_volume   176.977
_cell_formula_units_Z   2
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  0.663  0.125  0.028  1.0
  Fe  Fe1  1  0.875  0.337  0.972  1.0
  Fe  Fe2  1  0.154  0.695  0.183  1.0
  Fe  Fe3  1  0.305  0.846  0.817  1.0
  Fe  Fe4  1  0.990  0.944  0.670  1.0
  Fe  Fe5  1  0.056  0.010  0.330  1.0
  Ni  Ni6  1  0.032  0.528  0.051  1.0
  Ni  Ni7  1  0.472  0.968  0.949  1.0
  Ni  Ni8  1  0.578  0.082  0.390  1.0
  Ni  Ni9  1  0.918  0.422  0.610  1.0
  Ni  Ni10  1  0.616  0.657  0.394  1.0
  Ni  Ni11  1  0.343  0.384  0.606  1.0
  P  P12  1  0.470  0.437  0.757  1.0
  P  P13  1  0.563  0.530  0.243  1.0
  P  P14  1  0.192  0.225  0.340  1.0
  P  P15  1  0.775  0.808  0.660  1.0
[/CIF]
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