The material described by Fe7Ni5P4 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), two equivalent Ni(1), one P(1), and one P(3) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), two equivalent Ni(2), one P(2), and one P(4) atom. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), two equivalent Ni(3), one P(2), and one P(3) atom. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), two equivalent Ni(4), one P(1), and one P(4) atom. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one P(3), one P(4), and two equivalent P(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(3) atoms. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(4) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), two equivalent Fe(1), one Ni(5), two equivalent Ni(2), one P(1), one P(2), and one P(3) atom. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(7), two equivalent Fe(2), one Ni(5), two equivalent Ni(1), one P(1), one P(2), and one P(4) atom. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(3), two equivalent Ni(4), one P(2), one P(3), and one P(4) atom. In the fourth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), one Ni(5), two equivalent Ni(3), one P(1), one P(3), and one P(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one P(3), one P(4), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(4), one Fe(6), one Fe(7), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(5), one Ni(1), one Ni(2), and one Ni(3) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), two equivalent Fe(6), one Ni(1), one Ni(3), one Ni(4), and one Ni(5) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(7), one Ni(2), one Ni(3), one Ni(4), and one Ni(5) atom. is represented by the CIF card [CIF]
data_Fe7Ni5P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.392
_cell_length_b   6.703
_cell_length_c   6.718
_cell_angle_alpha   84.182
_cell_angle_beta   71.409
_cell_angle_gamma   71.613
_symmetry_Int_Tables_number   1
_cell_volume   177.895
_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
  Fe  Fe0  1  0.697  0.968  0.184  1.0
  Fe  Fe1  1  0.845  0.030  0.815  1.0
  Fe  Fe2  1  0.341  0.815  0.969  1.0
  Fe  Fe3  1  0.125  0.183  0.026  1.0
  Fe  Fe4  1  0.378  0.668  0.607  1.0
  Fe  Fe5  1  0.011  0.605  0.331  1.0
  Fe  Fe6  1  0.949  0.395  0.670  1.0
  Ni  Ni7  1  0.082  0.954  0.390  1.0
  Ni  Ni8  1  0.421  0.049  0.609  1.0
  Ni  Ni9  1  0.965  0.609  0.955  1.0
  Ni  Ni10  1  0.528  0.390  0.051  1.0
  Ni  Ni11  1  0.660  0.331  0.394  1.0
  P  P12  1  0.228  0.244  0.337  1.0
  P  P13  1  0.807  0.754  0.659  1.0
  P  P14  1  0.527  0.665  0.247  1.0
  P  P15  1  0.438  0.340  0.756  1.0
[/CIF]
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The material described by Fe7Ni5P4 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), two equivalent Ni(1), one P(1), and one P(3) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), two equivalent Ni(2), one P(2), and one P(4) atom. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), two equivalent Ni(3), one P(2), and one P(3) atom. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), two equivalent Ni(4), one P(1), and one P(4) atom. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one P(3), one P(4), and two equivalent P(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(3) atoms. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one P(1), one P(2), and two equivalent P(4) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), two equivalent Fe(1), one Ni(5), two equivalent Ni(2), one P(1), one P(2), and one P(3) atom. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(7), two equivalent Fe(2), one Ni(5), two equivalent Ni(1), one P(1), one P(2), and one P(4) atom. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(3), two equivalent Ni(4), one P(2), one P(3), and one P(4) atom. In the fourth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), one Ni(5), two equivalent Ni(3), one P(1), one P(3), and one P(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one P(3), one P(4), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(4), one Fe(6), one Fe(7), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(5), one Ni(1), one Ni(2), and one Ni(3) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), two equivalent Fe(6), one Ni(1), one Ni(3), one Ni(4), and one Ni(5) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(7), one Ni(2), one Ni(3), one Ni(4), and one Ni(5) atom. is represented by the CIF card [CIF]
data_Fe7Ni5P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.392
_cell_length_b   6.703
_cell_length_c   6.718
_cell_angle_alpha   84.182
_cell_angle_beta   71.409
_cell_angle_gamma   71.613
_symmetry_Int_Tables_number   1
_cell_volume   177.895
_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
  Fe  Fe0  1  0.697  0.968  0.184  1.0
  Fe  Fe1  1  0.845  0.030  0.815  1.0
  Fe  Fe2  1  0.341  0.815  0.969  1.0
  Fe  Fe3  1  0.125  0.183  0.026  1.0
  Fe  Fe4  1  0.378  0.668  0.607  1.0
  Fe  Fe5  1  0.011  0.605  0.331  1.0
  Fe  Fe6  1  0.949  0.395  0.670  1.0
  Ni  Ni7  1  0.082  0.954  0.390  1.0
  Ni  Ni8  1  0.421  0.049  0.609  1.0
  Ni  Ni9  1  0.965  0.609  0.955  1.0
  Ni  Ni10  1  0.528  0.390  0.051  1.0
  Ni  Ni11  1  0.660  0.331  0.394  1.0
  P  P12  1  0.228  0.244  0.337  1.0
  P  P13  1  0.807  0.754  0.659  1.0
  P  P14  1  0.527  0.665  0.247  1.0
  P  P15  1  0.438  0.340  0.756  1.0
[/CIF]
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