data_global
_chemical_name_mineral 'Goethite'
loop_
_publ_author_name
'Nagai T'
'Kagi H'
'Yamanaka T'
_journal_name_full 'American Mineralogist'
_journal_volume 88 
_journal_year 2003
_journal_page_first 1423
_journal_page_last 1427
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 0 GPa
;
_database_code_amcsd 0003165
_chemical_formula_sum 'Fe O2'
_cell_length_a 4.6250
_cell_length_b 9.9900
_cell_length_c 3.0370
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 140.321
_exptl_crystal_density_diffrn      4.158
_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
Fe  -0.04500   0.14500   0.25000
O1   0.28800  -0.19900   0.25000
O2  -0.19800  -0.05300   0.25000