The material structure described by FeP4 is Sylvanite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one P(1), one P(3), one P(4), one P(6), and two equivalent P(2) atoms to form FeP6 octahedra that share corners with two equivalent Fe(1)P6 octahedra, corners with two equivalent P(4)Fe2P2 tetrahedra, corners with three equivalent P(1)FeP3 tetrahedra, corners with four equivalent P(5)FeP3 tetrahedra, and  an edgeedge with one Fe(2)P6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to two equivalent P(3), two equivalent P(4), and two equivalent P(5) atoms to form FeP6 octahedra that share corners with two equivalent P(4)Fe2P2 tetrahedra, corners with four equivalent P(1)FeP3 tetrahedra, and edges with two equivalent Fe(1)P6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one Fe(1), one P(2), one P(4), and one P(5) atom to form distorted PFeP3 tetrahedra that share corners with two equivalent Fe(2)P6 octahedra, corners with three equivalent Fe(1)P6 octahedra,  a cornercorner with one P(4)Fe2P2 tetrahedra, and  a cornercorner with one P(5)FeP3 tetrahedra. The corner-sharing octahedral tilt angles range from 62-79°. In the second P site, P(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one P(1), and one P(5) atom. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one P(4), and one P(6) atom. In the fourth P site, P(4) is bonded to one Fe(1), one Fe(2), one P(1), and one P(3) atom to form distorted PFe2P2 tetrahedra that share  a cornercorner with one Fe(2)P6 octahedra, corners with two equivalent Fe(1)P6 octahedra,  a cornercorner with one P(4)Fe2P2 tetrahedra,  a cornercorner with one P(1)FeP3 tetrahedra, and corners with three equivalent P(5)FeP3 tetrahedra. The corner-sharing octahedral tilt angles range from 64-70°. In the fifth P site, P(5) is bonded to one Fe(2), one P(1), one P(2), and one P(6) atom to form distorted PFeP3 tetrahedra that share corners with four equivalent Fe(1)P6 octahedra,  a cornercorner with one P(1)FeP3 tetrahedra,  a cornercorner with one P(5)FeP3 tetrahedra, and corners with three equivalent P(4)Fe2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 45-79°. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one Fe(1), one P(3), one P(5), and one P(6) atom. is represented by the CIF file [CIF]
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.608
_cell_length_b   6.985
_cell_length_c   13.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.534
_symmetry_Int_Tables_number   1
_cell_volume   429.429
_cell_formula_units_Z   6
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  0.858  0.119  0.669  1.0
  Fe  Fe1  1  0.142  0.381  0.169  1.0
  Fe  Fe2  1  0.142  0.881  0.331  1.0
  Fe  Fe3  1  0.858  0.619  0.831  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.507  0.031  0.781  1.0
  P  P7  1  0.493  0.469  0.281  1.0
  P  P8  1  0.493  0.969  0.219  1.0
  P  P9  1  0.507  0.531  0.719  1.0
  P  P10  1  0.073  0.364  0.775  1.0
  P  P11  1  0.927  0.136  0.275  1.0
  P  P12  1  0.803  0.249  0.053  1.0
  P  P13  1  0.197  0.251  0.553  1.0
  P  P14  1  0.197  0.751  0.947  1.0
  P  P15  1  0.803  0.749  0.447  1.0
  P  P16  1  0.654  0.853  0.893  1.0
  P  P17  1  0.346  0.647  0.393  1.0
  P  P18  1  0.346  0.147  0.107  1.0
  P  P19  1  0.654  0.353  0.607  1.0
  P  P20  1  0.736  0.805  0.113  1.0
  P  P21  1  0.264  0.695  0.613  1.0
  P  P22  1  0.264  0.195  0.887  1.0
  P  P23  1  0.736  0.305  0.387  1.0
  P  P24  1  0.631  0.929  0.556  1.0
  P  P25  1  0.369  0.571  0.056  1.0
  P  P26  1  0.369  0.071  0.444  1.0
  P  P27  1  0.631  0.429  0.944  1.0
  P  P28  1  0.073  0.864  0.725  1.0
  P  P29  1  0.927  0.636  0.225  1.0
[/CIF]
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The material structure described by FeP4 is Sylvanite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one P(1), one P(3), one P(4), one P(6), and two equivalent P(2) atoms to form FeP6 octahedra that share corners with two equivalent Fe(1)P6 octahedra, corners with two equivalent P(4)Fe2P2 tetrahedra, corners with three equivalent P(1)FeP3 tetrahedra, corners with four equivalent P(5)FeP3 tetrahedra, and  an edgeedge with one Fe(2)P6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to two equivalent P(3), two equivalent P(4), and two equivalent P(5) atoms to form FeP6 octahedra that share corners with two equivalent P(4)Fe2P2 tetrahedra, corners with four equivalent P(1)FeP3 tetrahedra, and edges with two equivalent Fe(1)P6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one Fe(1), one P(2), one P(4), and one P(5) atom to form distorted PFeP3 tetrahedra that share corners with two equivalent Fe(2)P6 octahedra, corners with three equivalent Fe(1)P6 octahedra,  a cornercorner with one P(4)Fe2P2 tetrahedra, and  a cornercorner with one P(5)FeP3 tetrahedra. The corner-sharing octahedral tilt angles range from 62-79°. In the second P site, P(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one P(1), and one P(5) atom. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one P(4), and one P(6) atom. In the fourth P site, P(4) is bonded to one Fe(1), one Fe(2), one P(1), and one P(3) atom to form distorted PFe2P2 tetrahedra that share  a cornercorner with one Fe(2)P6 octahedra, corners with two equivalent Fe(1)P6 octahedra,  a cornercorner with one P(4)Fe2P2 tetrahedra,  a cornercorner with one P(1)FeP3 tetrahedra, and corners with three equivalent P(5)FeP3 tetrahedra. The corner-sharing octahedral tilt angles range from 64-70°. In the fifth P site, P(5) is bonded to one Fe(2), one P(1), one P(2), and one P(6) atom to form distorted PFeP3 tetrahedra that share corners with four equivalent Fe(1)P6 octahedra,  a cornercorner with one P(1)FeP3 tetrahedra,  a cornercorner with one P(5)FeP3 tetrahedra, and corners with three equivalent P(4)Fe2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 45-79°. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one Fe(1), one P(3), one P(5), and one P(6) atom. is represented by the CIF file [CIF]
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.608
_cell_length_b   6.985
_cell_length_c   13.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.534
_symmetry_Int_Tables_number   1
_cell_volume   429.429
_cell_formula_units_Z   6
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  0.858  0.119  0.669  1.0
  Fe  Fe1  1  0.142  0.381  0.169  1.0
  Fe  Fe2  1  0.142  0.881  0.331  1.0
  Fe  Fe3  1  0.858  0.619  0.831  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.507  0.031  0.781  1.0
  P  P7  1  0.493  0.469  0.281  1.0
  P  P8  1  0.493  0.969  0.219  1.0
  P  P9  1  0.507  0.531  0.719  1.0
  P  P10  1  0.073  0.364  0.775  1.0
  P  P11  1  0.927  0.136  0.275  1.0
  P  P12  1  0.803  0.249  0.053  1.0
  P  P13  1  0.197  0.251  0.553  1.0
  P  P14  1  0.197  0.751  0.947  1.0
  P  P15  1  0.803  0.749  0.447  1.0
  P  P16  1  0.654  0.853  0.893  1.0
  P  P17  1  0.346  0.647  0.393  1.0
  P  P18  1  0.346  0.147  0.107  1.0
  P  P19  1  0.654  0.353  0.607  1.0
  P  P20  1  0.736  0.805  0.113  1.0
  P  P21  1  0.264  0.695  0.613  1.0
  P  P22  1  0.264  0.195  0.887  1.0
  P  P23  1  0.736  0.305  0.387  1.0
  P  P24  1  0.631  0.929  0.556  1.0
  P  P25  1  0.369  0.571  0.056  1.0
  P  P26  1  0.369  0.071  0.444  1.0
  P  P27  1  0.631  0.429  0.944  1.0
  P  P28  1  0.073  0.864  0.725  1.0
  P  P29  1  0.927  0.636  0.225  1.0
[/CIF]
.