data_global
_chemical_name_mineral 'Goethite'
loop_
_publ_author_name
'Yang H'
'Lu R'
'Downs R T'
'Costin G'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 62 
_journal_year 2006
_journal_page_first i250
_journal_page_last i252
_publ_section_title
;
 Goethite, alpha-FeO(OH), from single-crystal data
;
_database_code_amcsd 0010471
_chemical_compound_source 'Park County, Colorado, USA'
_chemical_formula_sum 'Fe O2 H'
_cell_length_a 4.5979
_cell_length_b 9.9510
_cell_length_c 3.0178
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 138.076
_exptl_crystal_density_diffrn      4.274
_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
_atom_site_U_iso_or_equiv
Fe   0.04892   0.85366   0.25000   0.00588
O1   0.70569   0.19914   0.25000   0.00716
O-h2   0.19871   0.05298   0.25000   0.00738
H   0.37813   0.08170   0.25000   0.01942
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.00664 0.00537 0.00565 0.00004 0.00000 0.00000
O1 0.00710 0.00727 0.00712 0.00201 0.00000 0.00000
O-h2 0.00687 0.00643 0.00886 -0.00042 0.00000 0.00000