The material structure described by FeC4PH(OF)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two FeC4PH(OF)3 clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one C(2), one C(6), one C(8), one P(1), and one P(2) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one C(1), one C(3), one C(7), one P(1), and one P(2) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(2) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(4,5) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(2) and one O(3) atom. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one F(1), one F(2), and one F(3) atom. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one F(4), one F(5), and one F(6) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(1) and one O(6) atom. In the seventh C site, C(7) is bonded in a linear geometry to one Fe(2) and one O(4,5) atom. In the eighth C site, C(8) is bonded in a linear geometry to one Fe(1) and one O(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one C(5), and one H(1) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one C(4), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(8) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth O site, O(4,5) is bonded in a single-bond geometry to one C(7) atom. In the fifth O site, O(6) is bonded in a single-bond geometry to one C(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(4) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(4) atom. In the third F site, F(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one C(5) atom. is represented by the CIF card [CIF]
data_FePHC4(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.308
_cell_length_b   8.473
_cell_length_c   13.210
_cell_angle_alpha   79.180
_cell_angle_beta   80.824
_cell_angle_gamma   69.278
_symmetry_Int_Tables_number   1
_cell_volume   849.874
_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  0.790  0.776  0.657  1.0
  Fe  Fe1  1  0.210  0.224  0.343  1.0
  Fe  Fe2  1  0.879  0.906  0.805  1.0
  Fe  Fe3  1  0.121  0.094  0.195  1.0
  P  P4  1  0.874  0.645  0.810  1.0
  P  P5  1  0.126  0.355  0.190  1.0
  P  P6  1  0.616  0.958  0.761  1.0
  P  P7  1  0.384  0.042  0.239  1.0
  H  H8  1  0.028  0.503  0.819  1.0
  H  H9  1  0.972  0.497  0.181  1.0
  H  H10  1  0.486  0.916  0.833  1.0
  H  H11  1  0.514  0.084  0.167  1.0
  C  C12  1  0.891  0.107  0.738  1.0
  C  C13  1  0.109  0.893  0.262  1.0
  C  C14  1  0.995  0.646  0.601  1.0
  C  C15  1  0.005  0.354  0.399  1.0
  C  C16  1  0.832  0.944  0.935  1.0
  C  C17  1  0.168  0.056  0.065  1.0
  C  C18  1  0.468  0.179  0.713  1.0
  C  C19  1  0.532  0.821  0.287  1.0
  C  C20  1  0.743  0.545  0.917  1.0
  C  C21  1  0.257  0.455  0.083  1.0
  C  C22  1  0.649  0.678  0.627  1.0
  C  C23  1  0.351  0.322  0.373  1.0
  C  C24  1  0.110  0.818  0.796  1.0
  C  C25  1  0.890  0.182  0.204  1.0
  C  C26  1  0.778  0.938  0.546  1.0
  C  C27  1  0.222  0.062  0.454  1.0
  O  O28  1  0.907  0.233  0.695  1.0
  O  O29  1  0.093  0.767  0.305  1.0
  O  O30  1  0.777  0.038  0.473  1.0
  O  O31  1  0.223  0.962  0.527  1.0
  O  O32  1  0.802  0.968  0.021  1.0
  O  O33  1  0.198  0.032  0.979  1.0
  O  O34  1  0.259  0.762  0.790  1.0
  O  O35  1  0.741  0.238  0.210  1.0
  O  O36  1  0.127  0.563  0.566  1.0
  O  O37  1  0.873  0.437  0.434  1.0
  O  O38  1  0.557  0.615  0.607  1.0
  O  O39  1  0.443  0.385  0.393  1.0
  F  F40  1  0.322  0.171  0.682  1.0
  F  F41  1  0.678  0.829  0.318  1.0
  F  F42  1  0.414  0.282  0.788  1.0
  F  F43  1  0.586  0.718  0.212  1.0
  F  F44  1  0.547  0.257  0.631  1.0
  F  F45  1  0.453  0.743  0.369  1.0
  F  F46  1  0.743  0.589  0.011  1.0
  F  F47  1  0.257  0.411  0.989  1.0
  F  F48  1  0.809  0.370  0.927  1.0
  F  F49  1  0.191  0.630  0.073  1.0
  F  F50  1  0.575  0.591  0.898  1.0
  F  F51  1  0.425  0.409  0.102  1.0
[/CIF]
.
The material structure described by FeC4PH(OF)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two FeC4PH(OF)3 clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one C(2), one C(6), one C(8), one P(1), and one P(2) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one C(1), one C(3), one C(7), one P(1), and one P(2) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(2) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(4,5) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(2) and one O(3) atom. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one F(1), one F(2), and one F(3) atom. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one F(4), one F(5), and one F(6) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(1) and one O(6) atom. In the seventh C site, C(7) is bonded in a linear geometry to one Fe(2) and one O(4,5) atom. In the eighth C site, C(8) is bonded in a linear geometry to one Fe(1) and one O(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one C(5), and one H(1) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one C(4), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(8) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth O site, O(4,5) is bonded in a single-bond geometry to one C(7) atom. In the fifth O site, O(6) is bonded in a single-bond geometry to one C(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(4) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(4) atom. In the third F site, F(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one C(5) atom. is represented by the CIF card [CIF]
data_FePHC4(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.308
_cell_length_b   8.473
_cell_length_c   13.210
_cell_angle_alpha   79.180
_cell_angle_beta   80.824
_cell_angle_gamma   69.278
_symmetry_Int_Tables_number   1
_cell_volume   849.874
_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  0.790  0.776  0.657  1.0
  Fe  Fe1  1  0.210  0.224  0.343  1.0
  Fe  Fe2  1  0.879  0.906  0.805  1.0
  Fe  Fe3  1  0.121  0.094  0.195  1.0
  P  P4  1  0.874  0.645  0.810  1.0
  P  P5  1  0.126  0.355  0.190  1.0
  P  P6  1  0.616  0.958  0.761  1.0
  P  P7  1  0.384  0.042  0.239  1.0
  H  H8  1  0.028  0.503  0.819  1.0
  H  H9  1  0.972  0.497  0.181  1.0
  H  H10  1  0.486  0.916  0.833  1.0
  H  H11  1  0.514  0.084  0.167  1.0
  C  C12  1  0.891  0.107  0.738  1.0
  C  C13  1  0.109  0.893  0.262  1.0
  C  C14  1  0.995  0.646  0.601  1.0
  C  C15  1  0.005  0.354  0.399  1.0
  C  C16  1  0.832  0.944  0.935  1.0
  C  C17  1  0.168  0.056  0.065  1.0
  C  C18  1  0.468  0.179  0.713  1.0
  C  C19  1  0.532  0.821  0.287  1.0
  C  C20  1  0.743  0.545  0.917  1.0
  C  C21  1  0.257  0.455  0.083  1.0
  C  C22  1  0.649  0.678  0.627  1.0
  C  C23  1  0.351  0.322  0.373  1.0
  C  C24  1  0.110  0.818  0.796  1.0
  C  C25  1  0.890  0.182  0.204  1.0
  C  C26  1  0.778  0.938  0.546  1.0
  C  C27  1  0.222  0.062  0.454  1.0
  O  O28  1  0.907  0.233  0.695  1.0
  O  O29  1  0.093  0.767  0.305  1.0
  O  O30  1  0.777  0.038  0.473  1.0
  O  O31  1  0.223  0.962  0.527  1.0
  O  O32  1  0.802  0.968  0.021  1.0
  O  O33  1  0.198  0.032  0.979  1.0
  O  O34  1  0.259  0.762  0.790  1.0
  O  O35  1  0.741  0.238  0.210  1.0
  O  O36  1  0.127  0.563  0.566  1.0
  O  O37  1  0.873  0.437  0.434  1.0
  O  O38  1  0.557  0.615  0.607  1.0
  O  O39  1  0.443  0.385  0.393  1.0
  F  F40  1  0.322  0.171  0.682  1.0
  F  F41  1  0.678  0.829  0.318  1.0
  F  F42  1  0.414  0.282  0.788  1.0
  F  F43  1  0.586  0.718  0.212  1.0
  F  F44  1  0.547  0.257  0.631  1.0
  F  F45  1  0.453  0.743  0.369  1.0
  F  F46  1  0.743  0.589  0.011  1.0
  F  F47  1  0.257  0.411  0.989  1.0
  F  F48  1  0.809  0.370  0.927  1.0
  F  F49  1  0.191  0.630  0.073  1.0
  F  F50  1  0.575  0.591  0.898  1.0
  F  F51  1  0.425  0.409  0.102  1.0
[/CIF]
.