The compound described by Fe4P crystallizes in the cubic Pm-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to twelve equivalent Fe(2) atoms to form FeFe12 cuboctahedra that share corners with twelve equivalent Fe(1)Fe12 cuboctahedra, faces with six equivalent Fe(1)Fe12 cuboctahedra, and faces with eight equivalent P(1)Fe6 octahedra. In the second Fe site, Fe(2) is bonded in a linear geometry to four equivalent Fe(1) and two equivalent P(1) atoms. P(1) is bonded to six equivalent Fe(2) atoms to form PFe6 octahedra that share corners with six equivalent P(1)Fe6 octahedra and faces with eight equivalent Fe(1)Fe12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.136
_cell_length_b   4.136
_cell_length_c   4.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   70.770
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Fe4P crystallizes in the cubic Pm-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to twelve equivalent Fe(2) atoms to form FeFe12 cuboctahedra that share corners with twelve equivalent Fe(1)Fe12 cuboctahedra, faces with six equivalent Fe(1)Fe12 cuboctahedra, and faces with eight equivalent P(1)Fe6 octahedra. In the second Fe site, Fe(2) is bonded in a linear geometry to four equivalent Fe(1) and two equivalent P(1) atoms. P(1) is bonded to six equivalent Fe(2) atoms to form PFe6 octahedra that share corners with six equivalent P(1)Fe6 octahedra and faces with eight equivalent Fe(1)Fe12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.136
_cell_length_b   4.136
_cell_length_c   4.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   70.770
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.500  0.500  0.500  1.0
[/CIF]
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