The compound described by Fe2P crystallizes in the hexagonal P-62m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1) and six equivalent Fe(2) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   5.781
_cell_length_c   3.394
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   98.261
_cell_formula_units_Z   3
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  0.588  0.000  0.500  1.0
  Fe  Fe1  1  0.412  0.412  0.500  1.0
  Fe  Fe2  1  1.000  0.588  0.500  1.0
  Fe  Fe3  1  1.000  0.257  0.000  1.0
  Fe  Fe4  1  0.743  0.743  0.000  1.0
  Fe  Fe5  1  0.257  1.000  0.000  1.0
  P  P6  1  0.667  0.333  0.000  1.0
  P  P7  1  0.333  0.667  0.000  1.0
  P  P8  1  0.000  1.000  0.500  1.0
[/CIF]
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The compound described by Fe2P crystallizes in the hexagonal P-62m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1) and six equivalent Fe(2) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   5.781
_cell_length_c   3.394
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   98.261
_cell_formula_units_Z   3
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  0.588  0.000  0.500  1.0
  Fe  Fe1  1  0.412  0.412  0.500  1.0
  Fe  Fe2  1  1.000  0.588  0.500  1.0
  Fe  Fe3  1  1.000  0.257  0.000  1.0
  Fe  Fe4  1  0.743  0.743  0.000  1.0
  Fe  Fe5  1  0.257  1.000  0.000  1.0
  P  P6  1  0.667  0.333  0.000  1.0
  P  P7  1  0.333  0.667  0.000  1.0
  P  P8  1  0.000  1.000  0.500  1.0
[/CIF]
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