#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001319.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_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_formula_sum            'Fe4 O8 Cl.675'
_chemical_name_mineral           Akaganeite
_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_length_a                   10.600
_cell_length_b                   3.0339
_cell_length_c                   10.513
_cell_volume                     338.088
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
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