data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.24
_cell_length_b   11.24
_cell_length_c   11.24
_cell_angle_alpha   161.92
_cell_angle_beta   161.92
_cell_angle_gamma   25.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe8 P4'
_cell_volume   136.68
_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  0.0  0.0  0.39  1.0
  Fe  Fe1  1  0.0  0.0  0.53  1.0
  Fe  Fe2  1  0.0  0.77  0.87  1.0
  Fe  Fe3  1  0.0  0.77  0.09  1.0
  Fe  Fe4  1  0.0  0.0  0.1  1.0
  Fe  Fe5  1  0.0  0.0  0.82  1.0
  Fe  Fe6  1  0.77  0.0  0.62  1.0
  Fe  Fe7  1  0.77  0.0  0.34  1.0
  P  P8  1  0.0  0.0  0.49  1.0
  P  P9  1  0.0  0.0  0.42  1.0
  P  P10  1  0.0  0.77  0.97  1.0
  P  P11  1  0.0  0.77  0.98  1.0

data_Fe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   11.24
_cell_angle_alpha   99.04
_cell_angle_beta   99.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe8 P4'
_cell_volume   136.68
_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  0.18  0.0  0.18  1.0
  Fe  Fe1  1  0.38  0.0  0.15  1.0
  Fe  Fe2  1  0.47  0.0  0.47  1.0
  Fe  Fe3  1  0.61  0.0  0.61  1.0
  Fe  Fe4  1  0.66  0.0  0.43  1.0
  Fe  Fe5  1  0.68  0.77  0.68  1.0
  Fe  Fe6  1  0.9  0.77  0.9  1.0
  Fe  Fe7  1  0.9  0.0  0.9  1.0
  P  P8  1  0.51  0.0  0.51  1.0
  P  P9  1  0.58  0.0  0.58  1.0
  P  P10  1  0.78  0.77  0.78  1.0
  P  P11  1  0.79  0.77  0.79  1.0

Fe Fe Fe Fe Fe Fe Fe Fe P P P P
Fe2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one iron molecule, one Fe2P cluster, and one Fe4P3 cluster. In the Fe2P cluster, there are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(8) and one P(1) atom. The Fe(2)-Fe(8) bond length is 0.91 Å. The Fe(2)-P(1) bond length is 0.37 Å. In the second Fe site, Fe(8) is bonded in a distorted single-bond geometry to one Fe(2) atom. P(1) is bonded in a distorted single-bond geometry to one Fe(2) atom. In the Fe4P3 cluster, there are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(4) and one P(2) atom. The Fe(1)-Fe(4) bond length is 1.17 Å. The Fe(1)-P(2) bond length is 0.37 Å. In the second Fe site, Fe(3) is bonded in an L-shaped geometry to one Fe(5) and one P(3) atom. The Fe(3)-Fe(5) bond length is 0.82 Å. The Fe(3)-P(3) bond length is 1.19 Å. In the third Fe site, Fe(4) is bonded in a 2-coordinate geometry to one Fe(1) and one P(4) atom. The Fe(4)-P(4) bond length is 1.19 Å. In the fourth Fe site, Fe(5) is bonded in a 2-coordinate geometry to one Fe(3) and one P(3) atom. The Fe(5)-P(3) bond length is 1.38 Å. There are three inequivalent P sites. In the first P site, P(2) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the second P site, P(3) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one P(4) atom. The P(3)-P(4) bond length is 0.14 Å. In the third P site, P(4) is bonded in a linear geometry to one Fe(4) and one P(3) atom.