The structure described by FePNH5O4F is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two FePNH5O4F clusters. Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(7), and one F(2) atom. P(2) is bonded in a distorted tetrahedral geometry to one H(1), one H(10), one H(9), and one O(7) atom. N(1) is bonded in a bent 120 degrees geometry to one O(3) and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one P(2) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one P(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Fe(1), one H(2), and one H(3) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one N(1) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one N(1) atom. F(2) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FePH5NO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.327
_cell_length_b   6.535
_cell_length_c   7.111
_cell_angle_alpha   89.867
_cell_angle_beta   89.831
_cell_angle_gamma   84.840
_symmetry_Int_Tables_number   1
_cell_volume   292.798
_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  0.524  0.493  0.530  1.0
  Fe  Fe1  1  0.024  0.989  0.473  1.0
  P  P2  1  0.300  0.933  0.886  1.0
  P  P3  1  0.798  0.436  0.115  1.0
  H  H4  1  0.657  0.495  0.967  1.0
  H  H5  1  0.171  0.495  0.359  1.0
  H  H6  1  0.287  0.613  0.208  1.0
  H  H7  1  0.431  0.764  0.952  1.0
  H  H8  1  0.432  0.095  0.881  1.0
  H  H9  1  0.156  0.990  0.033  1.0
  H  H10  1  0.781  0.103  0.794  1.0
  H  H11  1  0.665  0.003  0.633  1.0
  H  H12  1  0.932  0.597  0.121  1.0
  H  H13  1  0.928  0.267  0.049  1.0
  N  N14  1  0.160  0.419  0.813  1.0
  N  N15  1  0.659  0.924  0.186  1.0
  O  O16  1  0.253  0.616  0.342  1.0
  O  O17  1  0.195  0.890  0.700  1.0
  O  O18  1  0.238  0.385  0.647  1.0
  O  O19  1  0.791  0.967  0.063  1.0
  O  O20  1  0.753  0.117  0.659  1.0
  O  O21  1  0.736  0.889  0.352  1.0
  O  O22  1  0.689  0.393  0.301  1.0
  O  O23  1  0.290  0.465  0.935  1.0
  F  F24  1  0.151  0.172  0.306  1.0
  F  F25  1  0.658  0.672  0.694  1.0
[/CIF]
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The structure described by FePNH5O4F is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two FePNH5O4F clusters. Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(7), and one F(2) atom. P(2) is bonded in a distorted tetrahedral geometry to one H(1), one H(10), one H(9), and one O(7) atom. N(1) is bonded in a bent 120 degrees geometry to one O(3) and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one P(2) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one P(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Fe(1), one H(2), and one H(3) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one N(1) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one N(1) atom. F(2) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FePH5NO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.327
_cell_length_b   6.535
_cell_length_c   7.111
_cell_angle_alpha   89.867
_cell_angle_beta   89.831
_cell_angle_gamma   84.840
_symmetry_Int_Tables_number   1
_cell_volume   292.798
_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  0.524  0.493  0.530  1.0
  Fe  Fe1  1  0.024  0.989  0.473  1.0
  P  P2  1  0.300  0.933  0.886  1.0
  P  P3  1  0.798  0.436  0.115  1.0
  H  H4  1  0.657  0.495  0.967  1.0
  H  H5  1  0.171  0.495  0.359  1.0
  H  H6  1  0.287  0.613  0.208  1.0
  H  H7  1  0.431  0.764  0.952  1.0
  H  H8  1  0.432  0.095  0.881  1.0
  H  H9  1  0.156  0.990  0.033  1.0
  H  H10  1  0.781  0.103  0.794  1.0
  H  H11  1  0.665  0.003  0.633  1.0
  H  H12  1  0.932  0.597  0.121  1.0
  H  H13  1  0.928  0.267  0.049  1.0
  N  N14  1  0.160  0.419  0.813  1.0
  N  N15  1  0.659  0.924  0.186  1.0
  O  O16  1  0.253  0.616  0.342  1.0
  O  O17  1  0.195  0.890  0.700  1.0
  O  O18  1  0.238  0.385  0.647  1.0
  O  O19  1  0.791  0.967  0.063  1.0
  O  O20  1  0.753  0.117  0.659  1.0
  O  O21  1  0.736  0.889  0.352  1.0
  O  O22  1  0.689  0.393  0.301  1.0
  O  O23  1  0.290  0.465  0.935  1.0
  F  F24  1  0.151  0.172  0.306  1.0
  F  F25  1  0.658  0.672  0.694  1.0
[/CIF]
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