The material described by (Fe4P2O8F9)2(N2)3 crystallizes in the monoclinic P2_1/m space group. The structure consists of six ammonia atoms inside a Fe4P2O8F9 framework. In the Fe4P2O8F9 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(5) atom to form FeO2F4 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the third Fe site, Fe(3) is bonded to two equivalent O(4), one F(4), one F(6), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-46°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, and corners with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(3) atom. is represented by the CIF file [CIF]
data_Fe4P2N3O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.681
_cell_length_b   7.261
_cell_length_c   7.610
_cell_angle_alpha   73.738
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   778.832
_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  0.622  0.822  0.685  1.0
  Fe  Fe1  1  0.122  0.178  0.315  1.0
  Fe  Fe2  1  0.378  0.178  0.315  1.0
  Fe  Fe3  1  0.878  0.822  0.685  1.0
  Fe  Fe4  1  0.750  0.476  0.058  1.0
  Fe  Fe5  1  0.250  0.524  0.942  1.0
  Fe  Fe6  1  0.750  0.982  0.041  1.0
  Fe  Fe7  1  0.250  0.018  0.959  1.0
  P  P8  1  0.603  0.152  0.291  1.0
  P  P9  1  0.103  0.848  0.709  1.0
  P  P10  1  0.397  0.848  0.709  1.0
  P  P11  1  0.897  0.152  0.291  1.0
  N  N12  1  0.497  0.698  0.200  1.0
  N  N13  1  0.997  0.302  0.800  1.0
  N  N14  1  0.503  0.302  0.800  1.0
  N  N15  1  0.003  0.698  0.200  1.0
  N  N16  1  0.750  0.432  0.544  1.0
  N  N17  1  0.250  0.568  0.456  1.0
  O  O18  1  0.654  0.346  0.239  1.0
  O  O19  1  0.154  0.654  0.761  1.0
  O  O20  1  0.346  0.654  0.761  1.0
  O  O21  1  0.846  0.346  0.239  1.0
  O  O22  1  0.506  0.186  0.208  1.0
  O  O23  1  0.006  0.814  0.792  1.0
  O  O24  1  0.494  0.814  0.792  1.0
  O  O25  1  0.994  0.186  0.208  1.0
  O  O26  1  0.597  0.077  0.501  1.0
  O  O27  1  0.097  0.923  0.499  1.0
  O  O28  1  0.403  0.923  0.499  1.0
  O  O29  1  0.903  0.077  0.501  1.0
  O  O30  1  0.651  0.005  0.210  1.0
  O  O31  1  0.151  0.995  0.790  1.0
  O  O32  1  0.349  0.995  0.790  1.0
  O  O33  1  0.849  0.005  0.210  1.0
  F  F34  1  0.589  0.667  0.543  1.0
  F  F35  1  0.089  0.333  0.457  1.0
  F  F36  1  0.411  0.333  0.457  1.0
  F  F37  1  0.911  0.667  0.543  1.0
  F  F38  1  0.750  0.837  0.606  1.0
  F  F39  1  0.250  0.163  0.394  1.0
  F  F40  1  0.658  0.970  0.859  1.0
  F  F41  1  0.158  0.030  0.141  1.0
  F  F42  1  0.342  0.030  0.141  1.0
  F  F43  1  0.842  0.970  0.859  1.0
  F  F44  1  0.750  0.264  0.944  1.0
  F  F45  1  0.250  0.736  0.056  1.0
  F  F46  1  0.654  0.591  0.888  1.0
  F  F47  1  0.154  0.409  0.112  1.0
  F  F48  1  0.346  0.409  0.112  1.0
  F  F49  1  0.846  0.591  0.888  1.0
  F  F50  1  0.750  0.702  0.149  1.0
  F  F51  1  0.250  0.298  0.851  1.0
[/CIF]
.
The material described by (Fe4P2O8F9)2(N2)3 crystallizes in the monoclinic P2_1/m space group. The structure consists of six ammonia atoms inside a Fe4P2O8F9 framework. In the Fe4P2O8F9 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(5) atom to form FeO2F4 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the third Fe site, Fe(3) is bonded to two equivalent O(4), one F(4), one F(6), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-46°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, and corners with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(3) atom. is represented by the CIF file [CIF]
data_Fe4P2N3O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.681
_cell_length_b   7.261
_cell_length_c   7.610
_cell_angle_alpha   73.738
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   778.832
_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  0.622  0.822  0.685  1.0
  Fe  Fe1  1  0.122  0.178  0.315  1.0
  Fe  Fe2  1  0.378  0.178  0.315  1.0
  Fe  Fe3  1  0.878  0.822  0.685  1.0
  Fe  Fe4  1  0.750  0.476  0.058  1.0
  Fe  Fe5  1  0.250  0.524  0.942  1.0
  Fe  Fe6  1  0.750  0.982  0.041  1.0
  Fe  Fe7  1  0.250  0.018  0.959  1.0
  P  P8  1  0.603  0.152  0.291  1.0
  P  P9  1  0.103  0.848  0.709  1.0
  P  P10  1  0.397  0.848  0.709  1.0
  P  P11  1  0.897  0.152  0.291  1.0
  N  N12  1  0.497  0.698  0.200  1.0
  N  N13  1  0.997  0.302  0.800  1.0
  N  N14  1  0.503  0.302  0.800  1.0
  N  N15  1  0.003  0.698  0.200  1.0
  N  N16  1  0.750  0.432  0.544  1.0
  N  N17  1  0.250  0.568  0.456  1.0
  O  O18  1  0.654  0.346  0.239  1.0
  O  O19  1  0.154  0.654  0.761  1.0
  O  O20  1  0.346  0.654  0.761  1.0
  O  O21  1  0.846  0.346  0.239  1.0
  O  O22  1  0.506  0.186  0.208  1.0
  O  O23  1  0.006  0.814  0.792  1.0
  O  O24  1  0.494  0.814  0.792  1.0
  O  O25  1  0.994  0.186  0.208  1.0
  O  O26  1  0.597  0.077  0.501  1.0
  O  O27  1  0.097  0.923  0.499  1.0
  O  O28  1  0.403  0.923  0.499  1.0
  O  O29  1  0.903  0.077  0.501  1.0
  O  O30  1  0.651  0.005  0.210  1.0
  O  O31  1  0.151  0.995  0.790  1.0
  O  O32  1  0.349  0.995  0.790  1.0
  O  O33  1  0.849  0.005  0.210  1.0
  F  F34  1  0.589  0.667  0.543  1.0
  F  F35  1  0.089  0.333  0.457  1.0
  F  F36  1  0.411  0.333  0.457  1.0
  F  F37  1  0.911  0.667  0.543  1.0
  F  F38  1  0.750  0.837  0.606  1.0
  F  F39  1  0.250  0.163  0.394  1.0
  F  F40  1  0.658  0.970  0.859  1.0
  F  F41  1  0.158  0.030  0.141  1.0
  F  F42  1  0.342  0.030  0.141  1.0
  F  F43  1  0.842  0.970  0.859  1.0
  F  F44  1  0.750  0.264  0.944  1.0
  F  F45  1  0.250  0.736  0.056  1.0
  F  F46  1  0.654  0.591  0.888  1.0
  F  F47  1  0.154  0.409  0.112  1.0
  F  F48  1  0.346  0.409  0.112  1.0
  F  F49  1  0.846  0.591  0.888  1.0
  F  F50  1  0.750  0.702  0.149  1.0
  F  F51  1  0.250  0.298  0.851  1.0
[/CIF]
.