#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/1/1010309.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_1010309
_chemical_name_systematic          'Iron(III) oxide chloride'
_chemical_formula_structural       'Fe O Cl'
_chemical_formula_sum              'Cl Fe O'
_publ_section_title
;
Structure cristalline de l'oxychlorure de fer.
;
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2ac 2ac -1ac'
_symmetry_space_group_name_H-M   'P m n m :1'
_[local]_cod_cif_authors_sg_H-M  'P m n m S'
loop_
_publ_author_name                  'Goldsztaub, M S'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM                COREAF
_journal_volume                    198
_journal_year                      1934
_journal_page_first                667
_journal_page_last                 669
_cell_length_a                     3.75
_cell_length_b                     7.95
_cell_length_c                     3.3
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       98.4
_cell_formula_units_Z              2
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,y,z'
  'x,y,-z'
  '1/2+x,-y,1/2+z'
  '1/2+x,-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe3+   3.000
  O2-   -2.000
  Cl1-  -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+   2 b 0. 0.097 0.5 1.  0 d
  O1    O2-    2 a 0. -0.083 0. 1.  0 d
  Cl1   Cl1-   2 a 0. 0.305 0. 1.  0 d