data_global
_chemical_name_mineral 'Goethite'
loop_
_publ_author_name
'Gualtieri A'
'Venturelli P'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 895
_journal_page_last 904
_publ_section_title
;
 In situ study of the goethite-hematite phase transformation by real time
 synchrotron powder diffraction
 Sample at T = 156 C
;
_database_code_amcsd 0002227
_chemical_formula_sum 'Fe H O2'
_cell_length_a 9.9189
_cell_length_b 3.0148
_cell_length_c 4.5835
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 137.063
_exptl_crystal_density_diffrn      4.306
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe   0.14590   0.25000  -0.04890   0.04800
H  -0.10500   0.25000  -0.41100   0.06000
O1  -0.19940   0.25000   0.28600   0.05000
O2  -0.04990   0.25000  -0.20900   0.05000