The structure described by FeP4 is Sylvanite-derived structured and crystallizes in the orthorhombic C222_1 space group. Fe(1) is bonded to two equivalent P(2) and four equivalent P(1) atoms to form FeP6 octahedra that share corners with four equivalent Fe(1)P6 octahedra and corners with eight equivalent P(2)FeP3 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one P(1), and one P(2) atom. In the second P site, P(2) is bonded to one Fe(1), one P(1), and two equivalent P(2) atoms to form distorted PFeP3 tetrahedra that share corners with four equivalent Fe(1)P6 octahedra and corners with three equivalent P(2)FeP3 tetrahedra. The corner-sharing octahedral tilt angles range from 53-75°. is represented by the CIF file [CIF]
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   5.522
_cell_length_c   5.672
_cell_angle_alpha   90.000
_cell_angle_beta   116.045
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.154
_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  0.173  0.750  0.347  1.0
  Fe  Fe1  1  0.827  0.250  0.653  1.0
  P  P2  1  0.002  0.134  0.365  1.0
  P  P3  1  0.307  0.803  0.037  1.0
  P  P4  1  0.998  0.634  0.635  1.0
  P  P5  1  0.270  0.197  0.963  1.0
  P  P6  1  0.638  0.866  0.635  1.0
  P  P7  1  0.362  0.366  0.365  1.0
  P  P8  1  0.693  0.303  0.963  1.0
  P  P9  1  0.730  0.697  0.037  1.0
[/CIF]
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The structure described by FeP4 is Sylvanite-derived structured and crystallizes in the orthorhombic C222_1 space group. Fe(1) is bonded to two equivalent P(2) and four equivalent P(1) atoms to form FeP6 octahedra that share corners with four equivalent Fe(1)P6 octahedra and corners with eight equivalent P(2)FeP3 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one P(1), and one P(2) atom. In the second P site, P(2) is bonded to one Fe(1), one P(1), and two equivalent P(2) atoms to form distorted PFeP3 tetrahedra that share corners with four equivalent Fe(1)P6 octahedra and corners with three equivalent P(2)FeP3 tetrahedra. The corner-sharing octahedral tilt angles range from 53-75°. is represented by the CIF file [CIF]
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   5.522
_cell_length_c   5.672
_cell_angle_alpha   90.000
_cell_angle_beta   116.045
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.154
_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  0.173  0.750  0.347  1.0
  Fe  Fe1  1  0.827  0.250  0.653  1.0
  P  P2  1  0.002  0.134  0.365  1.0
  P  P3  1  0.307  0.803  0.037  1.0
  P  P4  1  0.998  0.634  0.635  1.0
  P  P5  1  0.270  0.197  0.963  1.0
  P  P6  1  0.638  0.866  0.635  1.0
  P  P7  1  0.362  0.366  0.365  1.0
  P  P8  1  0.693  0.303  0.963  1.0
  P  P9  1  0.730  0.697  0.037  1.0
[/CIF]
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