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 1008767 ; _database_code_amcsd 0016644 _chemical_formula_sum 'Fe O2' _cell_length_a 4.6158 _cell_length_b 9.9545 _cell_length_c 3.0233 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 138.915 _exptl_crystal_density_diffrn 4.200 _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 0.04790 0.85420 0.75000 O1 0.70800 0.19880 0.75000 O2 0.19700 0.05270 0.75000