data_global _chemical_name_mineral 'Jarosite' loop_ _publ_author_name 'Basciano L C' 'Peterson R C' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1464 _journal_page_last 1473 _publ_section_title ; Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Sample: 7-11-3-8 Note: could not reproduce reported bond lengths ; _database_code_amcsd 0004440 _chemical_compound_source 'Rio Tonto, Huelva, Spain' _chemical_formula_sum 'K.84 H6.16 Fe2.73 S2 O14' _cell_length_a 7.3128 _cell_length_b 7.3128 _cell_length_c 17.1973 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 796.450 _exptl_crystal_density_diffrn 3.000 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K 0.00000 0.00000 0.00000 0.84000 0.01773 H3O 0.00000 0.00000 0.00000 0.16000 0.01773 Fe 0.16667 -0.16667 -0.16667 0.91000 0.02052 S 0.00000 0.00000 0.31110 1.00000 0.01900 O1 0.00000 0.00000 0.39660 1.00000 0.01773 O2 0.22150 -0.22150 -0.05650 1.00000 0.03546 O3 0.12740 -0.12740 0.13670 1.00000 0.01267 H 0.16600 -0.16600 0.10200 1.00000 0.02533