data_global _chemical_name_mineral 'Goethite' loop_ _publ_author_name 'Alvarez M' 'Sileo E E' 'Rueda E H' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 584 _journal_page_last 590 _publ_section_title ; Structure and reactivity of synthetic Co-substituted goethites Sample: G5, 5 mol% Co Note: changed O(x) to match reported bond distances ; _database_code_amcsd 0004540 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Fe.95 Co.05) O2 H' _cell_length_a 4.5975 _cell_length_b 9.9395 _cell_length_c 3.0183 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 137.927 _exptl_crystal_density_diffrn 4.286 _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_occupancy FeMe 0.04790 -0.14540 0.25000 0.95000 CoMe 0.04790 -0.14540 0.25000 0.05000 O -0.29290 0.19820 0.25000 1.00000 O-H 0.19160 0.05340 0.25000 1.00000