The material described by FeP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form FeP6 octahedra that share corners with two equivalent P(2)Fe2P2 tetrahedra and edges with two equivalent Fe(2)P6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(4) atoms to form FeP6 octahedra that share corners with four equivalent P(2)Fe2P2 tetrahedra and edges with two equivalent Fe(1)P6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Fe(2), one P(1), one P(2), and one P(3) atom. In the second P site, P(2) is bonded to one Fe(1), one Fe(2), one P(1), and one P(2) atom to form distorted PFe2P2 tetrahedra that share  a cornercorner with one Fe(1)P6 octahedra, corners with two equivalent Fe(2)P6 octahedra, and corners with two equivalent P(2)Fe2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-67°. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Fe(1), one P(1), one P(3), and one P(4) atom. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one P(3), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   5.760
_cell_length_c   11.049
_cell_angle_alpha   89.474
_cell_angle_beta   88.797
_cell_angle_gamma   64.082
_symmetry_Int_Tables_number   1
_cell_volume   288.199
_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  0.924  0.151  0.750  1.0
  Fe  Fe1  1  0.076  0.849  0.250  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  P  P4  1  0.458  0.206  0.476  1.0
  P  P5  1  0.664  0.794  0.976  1.0
  P  P6  1  0.132  0.814  0.450  1.0
  P  P7  1  0.053  0.814  0.050  1.0
  P  P8  1  0.542  0.794  0.524  1.0
  P  P9  1  0.628  0.145  0.284  1.0
  P  P10  1  0.773  0.855  0.784  1.0
  P  P11  1  0.947  0.186  0.950  1.0
  P  P12  1  0.469  0.465  0.792  1.0
  P  P13  1  0.372  0.855  0.716  1.0
  P  P14  1  0.336  0.206  0.024  1.0
  P  P15  1  0.227  0.145  0.216  1.0
  P  P16  1  0.933  0.535  0.292  1.0
  P  P17  1  0.868  0.186  0.550  1.0
  P  P18  1  0.067  0.465  0.708  1.0
  P  P19  1  0.531  0.535  0.208  1.0
[/CIF]
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The material described by FeP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form FeP6 octahedra that share corners with two equivalent P(2)Fe2P2 tetrahedra and edges with two equivalent Fe(2)P6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(4) atoms to form FeP6 octahedra that share corners with four equivalent P(2)Fe2P2 tetrahedra and edges with two equivalent Fe(1)P6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Fe(2), one P(1), one P(2), and one P(3) atom. In the second P site, P(2) is bonded to one Fe(1), one Fe(2), one P(1), and one P(2) atom to form distorted PFe2P2 tetrahedra that share  a cornercorner with one Fe(1)P6 octahedra, corners with two equivalent Fe(2)P6 octahedra, and corners with two equivalent P(2)Fe2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-67°. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Fe(1), one P(1), one P(3), and one P(4) atom. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one P(3), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   5.760
_cell_length_c   11.049
_cell_angle_alpha   89.474
_cell_angle_beta   88.797
_cell_angle_gamma   64.082
_symmetry_Int_Tables_number   1
_cell_volume   288.199
_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  0.924  0.151  0.750  1.0
  Fe  Fe1  1  0.076  0.849  0.250  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  P  P4  1  0.458  0.206  0.476  1.0
  P  P5  1  0.664  0.794  0.976  1.0
  P  P6  1  0.132  0.814  0.450  1.0
  P  P7  1  0.053  0.814  0.050  1.0
  P  P8  1  0.542  0.794  0.524  1.0
  P  P9  1  0.628  0.145  0.284  1.0
  P  P10  1  0.773  0.855  0.784  1.0
  P  P11  1  0.947  0.186  0.950  1.0
  P  P12  1  0.469  0.465  0.792  1.0
  P  P13  1  0.372  0.855  0.716  1.0
  P  P14  1  0.336  0.206  0.024  1.0
  P  P15  1  0.227  0.145  0.216  1.0
  P  P16  1  0.933  0.535  0.292  1.0
  P  P17  1  0.868  0.186  0.550  1.0
  P  P18  1  0.067  0.465  0.708  1.0
  P  P19  1  0.531  0.535  0.208  1.0
[/CIF]
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