data_global _chemical_name_mineral 'Metasideronatrite' loop_ _publ_author_name 'Ventruti G' 'Stasi F' 'Scordari F' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 329 _journal_page_last 334 _publ_section_title ; Metasideronatrite: crystal structure and its relation with sideronatrite ; _database_code_amcsd 0005014 _chemical_compound_source 'Sierra Gorda, Chile' _chemical_formula_sum 'Na2 Fe S2 O10 H3' _cell_length_a 7.3959 _cell_length_b 16.0979 _cell_length_c 7.1607 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 852.542 _exptl_crystal_density_diffrn 2.563 _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_U_iso_or_equiv Na 0.55120 0.15980 0.52250 0.02800 Fe 0.00000 0.00000 0.00000 0.01400 S1 0.98430 0.16530 0.75000 0.01600 S2 0.63140 0.01420 0.25000 0.01400 O1 0.78890 0.17350 0.75000 0.02700 O2 0.07030 0.24780 0.75000 0.02100 O3 0.04640 0.11920 0.91940 0.01800 O4 0.74520 0.03370 0.41910 0.01900 O5 0.47820 0.07190 0.25000 0.01900 O6 0.42160 0.07140 0.75000 0.02200 O-H 0.09530 0.02860 0.25000 0.01000 Wat 0.44390 0.25890 0.75000 0.03000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Fe 0.01380 0.01810 0.00920 0.00060 0.00060 0.00010 S1 0.01700 0.01600 0.01400 0.00100 0.00000 0.00000 S2 0.01400 0.01800 0.01020 0.00000 0.00000 0.00000