#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/13/9001319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9001319
loop_
_publ_author_name
'Post, J. E.'
'Buchwald, V. F.'
_publ_section_title
;
 Crystal structure refinement of akaganeite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              272
_journal_page_last               277
_journal_volume                  76
_journal_year                    1991
_chemical_compound_source
'corrosion crust on the Camp del Cielo meteorite'
_chemical_formula_sum            'Cl0.675 Fe4 O8'
_chemical_name_mineral           Akaganeite
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.24
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.600
_cell_length_b                   3.0339
_cell_length_c                   10.513
_cell_volume                     338.088
_database_code_amcsd             0001349
_exptl_crystal_density_diffrn    3.687
_cod_original_formula_sum        'Fe4 O8 Cl.675'
_cod_database_code               9001319
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2+x,1/2+y,1/2+z
3 x,-y,z
4 1/2+x,1/2-y,1/2+z
5 -x,y,-z
6 1/2-x,1/2+y,1/2-z
7 -x,-y,-z
8 1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 0.85800 0.00000 0.34100 1.00000 0.00633
Fe2 0.33900 0.00000 0.14100 1.00000 0.00633
O1 0.66300 0.00000 0.29000 1.00000 0.01013
O2 0.65700 0.00000 0.03000 1.00000 0.01013
O3 0.29300 0.00000 0.35700 1.00000 0.01013
O4 0.03900 0.00000 0.33200 1.00000 0.01013
Cl 0.00000 0.00000 0.00000 0.67500 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001349
