data_global
_chemical_name_mineral 'Akaganeite'
loop_
_publ_author_name
'Mackay A L'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 32 
_journal_year 1960
_journal_page_first 545
_journal_page_last 557
_publ_section_title
;
 Beta-ferric oxyhydroxide
;
_database_code_amcsd 0021056
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe4 O8.675 Cl.325 H5.67'
_cell_length_a 10.48
_cell_length_b 10.48
_cell_length_c 3.023
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 332.017
_exptl_crystal_density_diffrn      3.795
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,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'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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
Fe   0.34800   0.16700   0.00000   1.00000
O   0.15300   0.18000   0.00000   0.46000
O-H   0.15300   0.18000   0.00000   0.54000
O-H   0.54200   0.16700   0.00000   0.54000
O   0.54200   0.16700   0.00000   0.46000
Cl   0.00000   0.00000   0.50000   0.32500
Wat   0.00000   0.00000   0.50000   0.67500