data_global _chemical_name_mineral 'Natrojarosite' loop_ _publ_author_name 'Nestola F' 'Mills S J' 'Periotto B' 'Scandolo L' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 3007 _journal_page_last 3017 _publ_section_title ; The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 0.00010 GPa ; _database_code_amcsd 0020119 _chemical_compound_source 'Londonderry Li deposit, Nepean, Western Australia, Australia' _chemical_formula_sum 'Na Fe3 S2 O14 H6' _cell_length_a 7.3170 _cell_length_b 7.3170 _cell_length_c 16.5955 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 769.462 _exptl_crystal_density_diffrn 3.138 _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_U_iso_or_equiv Na 0.00000 0.00000 0.00000 0.05300 Fe 0.83333 0.16667 0.16667 0.01060 S 0.66667 0.33333 0.02080 0.01200 O1 0.66667 0.33333 -0.06790 0.01200 O2 0.77690 0.22310 0.05020 0.01800 O-H3 0.12680 0.25360 0.13310 0.01600