#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010645.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_1010645
loop_
_publ_author_name
'Goldsztaub, M S'
_publ_section_title
;
Etude de quelques derives de l'oxyde ferrique (Fe O.OH, FeO²Na,
FeOCl) determination de leurs structures.
;
_journal_coden_ASTM              BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first              6
_journal_page_last               6
_journal_volume                  58
_journal_year                    1935
_chemical_formula_structural     'Fe O Cl'
_chemical_formula_sum            'Cl Fe O'
_chemical_name_systematic        'Iron(III) oxide chloride'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ac -1ac'
_symmetry_space_group_name_H-M   'P m n m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.75
_cell_length_b                   7.65
_cell_length_c                   3.3
_cell_volume                     94.7
_exptl_crystal_density_meas      3.55
_cod_original_sg_symbol_H-M      'P m n m S'
_cod_database_code               1010645
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_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
Cl1 Cl1- 2 a 0. 0.305 0. 1. 0 d
O1 O2- 2 a 0. -0.083 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+ 3.000
Cl1- -1.000
O2- -2.000
