#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010415.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010415
_chemical_name_systematic          'Iron(III) fluoride'
_chemical_formula_structural       'Fe F3'
_chemical_formula_sum              'F3 Fe'
_publ_section_title
;
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and
Palladium
;
_publ_author_name                  'Ketelaar, J A A'
_journal_name_full                 'Nature (London)'
_journal_coden_ASTM                NATUAS
_journal_volume                    128
_journal_year                      1931
_journal_page_first                303
_journal_page_last                 303
_cell_length_a                     5.2
_cell_length_b                     5.2
_cell_length_c                     6.66
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       156.0
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 3 2 1'
_symmetry_Int_Tables_number        150
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe3+   3.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Fe1   Fe3+   1 a 0. 0. 0. 1.  0 d
  Fe2   Fe3+   2 d 0.3333 0.6667 0.667 1.  0 d
  F1    F1-    3 f 0.667 0.667 0.5 1.  0 d
  F2    F1-    6 g 0.167 0.833 0.167 1.  0 d