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