The structure described by FeF3 crystallizes in the monoclinic C2/c space group. 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 37-38°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_FeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.417
_cell_length_b   7.322
_cell_length_c   5.337
_cell_angle_alpha   136.616
_cell_angle_beta   151.894
_cell_angle_gamma   34.523
_symmetry_Int_Tables_number   1
_cell_volume   98.257
_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  1.000  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.500  0.372  0.618  1.0
  F  F3  1  0.126  0.250  0.254  1.0
  F  F4  1  0.119  0.127  0.619  1.0
  F  F5  1  0.500  0.628  0.382  1.0
  F  F6  1  0.874  0.750  0.746  1.0
  F  F7  1  0.881  0.873  0.381  1.0
[/CIF]
.
The structure described by FeF3 crystallizes in the monoclinic C2/c space group. 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 37-38°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_FeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.417
_cell_length_b   7.322
_cell_length_c   5.337
_cell_angle_alpha   136.616
_cell_angle_beta   151.894
_cell_angle_gamma   34.523
_symmetry_Int_Tables_number   1
_cell_volume   98.257
_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  1.000  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.500  0.372  0.618  1.0
  F  F3  1  0.126  0.250  0.254  1.0
  F  F4  1  0.119  0.127  0.619  1.0
  F  F5  1  0.500  0.628  0.382  1.0
  F  F6  1  0.874  0.750  0.746  1.0
  F  F7  1  0.881  0.873  0.381  1.0
[/CIF]
.