data_global
_chemical_name_mineral 'Goethite'
loop_
_publ_author_name
'Hazemann J'
'Berar J'
'Manceau A'
_journal_name_full 'Materials Science Forum'
_journal_volume 79 
_journal_year 1991
_journal_page_first 821
_journal_page_last 826
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic
 goethite
 _cod_database_code 1008766
;
_database_code_amcsd 0016643
_chemical_formula_sum 'Fe O2'
_cell_length_a 4.6188
_cell_length_b 9.9528
_cell_length_c 3.0236
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 138.995
_exptl_crystal_density_diffrn      4.198
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.04660   0.85520   0.25000
O1   0.71400   0.20060   0.25000
O2   0.19200   0.05170   0.25000