The crystal structure described by FeF3 crystallizes in the cubic Fd-3m space group. Fe(1) is bonded to six equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 38°. F(1) 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   7.315
_cell_length_b   7.315
_cell_length_c   7.315
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   276.804
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.939  0.939  0.311  1.0
  F  F5  1  0.939  0.311  0.311  1.0
  F  F6  1  0.311  0.939  0.311  1.0
  F  F7  1  0.061  0.689  0.061  1.0
  F  F8  1  0.689  0.061  0.061  1.0
  F  F9  1  0.689  0.689  0.061  1.0
  F  F10  1  0.939  0.311  0.939  1.0
  F  F11  1  0.061  0.061  0.689  1.0
  F  F12  1  0.689  0.061  0.689  1.0
  F  F13  1  0.311  0.311  0.939  1.0
  F  F14  1  0.061  0.689  0.689  1.0
  F  F15  1  0.311  0.939  0.939  1.0
[/CIF]
.
The crystal structure described by FeF3 crystallizes in the cubic Fd-3m space group. Fe(1) is bonded to six equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 38°. F(1) 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   7.315
_cell_length_b   7.315
_cell_length_c   7.315
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   276.804
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.939  0.939  0.311  1.0
  F  F5  1  0.939  0.311  0.311  1.0
  F  F6  1  0.311  0.939  0.311  1.0
  F  F7  1  0.061  0.689  0.061  1.0
  F  F8  1  0.689  0.061  0.061  1.0
  F  F9  1  0.689  0.689  0.061  1.0
  F  F10  1  0.939  0.311  0.939  1.0
  F  F11  1  0.061  0.061  0.689  1.0
  F  F12  1  0.689  0.061  0.689  1.0
  F  F13  1  0.311  0.311  0.939  1.0
  F  F14  1  0.061  0.689  0.689  1.0
  F  F15  1  0.311  0.939  0.939  1.0
[/CIF]
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