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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106381.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106381
loop_
_publ_author_name
'Lind, M.D.'
_publ_section_title
;
 Refinement of the crystal structure of iron oxychloride
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1058
_journal_page_last               1062
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Cl Fe O'
_chemical_name_systematic        'Fe O Cl'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2a'
_symmetry_space_group_name_H-M   'P m n m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.78
_cell_length_b                   7.917
_cell_length_c                   3.302
_cell_volume                     98.817
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Lind_ACBCAR_1970_1781.cif
_cod_data_source_block           Cl1Fe1O1
_cod_original_cell_volume        98.81651
_cod_original_sg_symbol_Hall     '-P 2ab 2a (y,z,x)'
_cod_original_formula_sum        'Cl1 Fe1 O1'
_cod_database_code               2106381
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x,-y,z+1/2
x+1/2,-y,-z
-x,-y,-z
x-1/2,-y,z-1/2
x,y,-z-1/2
-x-1/2,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 Fe+3 0.25 0.11568 0.75 1 0.0
Cl1 Cl-1 0.25 0.33003 0.25 1 0.0
O1 O-2 0.25 -0.04832 0.25 1 0.0
