The structure described by (FeF3)6N2 crystallizes in the hexagonal P6/mmm space group. The structure consists of one ammonia atom inside a FeF3 framework. In the FeF3 framework, Fe(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3NF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.526
_cell_length_b   7.526
_cell_length_c   3.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   191.578
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.209  0.418  0.500  1.0
  F  F5  1  0.791  0.582  0.500  1.0
  F  F6  1  0.582  0.791  0.500  1.0
  F  F7  1  0.418  0.209  0.500  1.0
  F  F8  1  0.209  0.791  0.500  1.0
  F  F9  1  0.791  0.209  0.500  1.0
  F  F10  1  0.500  0.000  0.000  1.0
  F  F11  1  0.000  0.500  0.000  1.0
  F  F12  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by (FeF3)6N2 crystallizes in the hexagonal P6/mmm space group. The structure consists of one ammonia atom inside a FeF3 framework. In the FeF3 framework, Fe(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3NF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.526
_cell_length_b   7.526
_cell_length_c   3.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   191.578
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.209  0.418  0.500  1.0
  F  F5  1  0.791  0.582  0.500  1.0
  F  F6  1  0.582  0.791  0.500  1.0
  F  F7  1  0.418  0.209  0.500  1.0
  F  F8  1  0.209  0.791  0.500  1.0
  F  F9  1  0.791  0.209  0.500  1.0
  F  F10  1  0.500  0.000  0.000  1.0
  F  F11  1  0.000  0.500  0.000  1.0
  F  F12  1  0.500  0.500  0.000  1.0
[/CIF]
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