data_global _chemical_name_mineral 'Ferrihydrite' loop_ _publ_author_name 'Jansen E' 'Kyek A' 'Schafer W' 'Schwertmann U' _journal_name_full 'Applied Physics' _journal_volume A74 _journal_year 2002 _journal_page_first S1004 _journal_page_last S1006 _publ_section_title ; The structure of six-line ferrihydrite Sample: defective refinement ; _database_code_amcsd 0012028 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe.48 O' _cell_length_a 2.955 _cell_length_b 2.955 _cell_length_c 9.37 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 70.857 _exptl_crystal_density_diffrn 2.006 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe1 0.33333 0.66667 0.16300 0.24000 Fe2 0.33333 0.66667 0.33700 0.24000 Fe3 0.33333 0.66667 0.66300 0.24000 Fe4 0.33333 0.66667 0.83700 0.24000 O1 0.00000 0.00000 0.00000 1.00000 O2 0.66667 0.33333 0.50000 1.00000