data_global _chemical_name_mineral 'Quenstedtite' loop_ _publ_author_name 'Thomas J N' 'Robinson P D' 'Fang J H' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 582 _journal_page_last 586 _publ_section_title ; Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. The crystal structure of quenstedtite ; _database_code_amcsd 0000409 _chemical_compound_source 'Chile' _chemical_formula_sum 'Fe2 S3 O23 H22' _cell_length_a 6.184 _cell_length_b 23.60 _cell_length_c 6.539 _cell_angle_alpha 94.18 _cell_angle_beta 101.73 _cell_angle_gamma 96.27 _cell_volume 924.355 _exptl_crystal_density_diffrn 2.149 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Fe1 0.14110 0.11460 0.33650 0.03863 Fe2 0.46840 0.61820 0.24340 0.03863 S1 0.26330 0.28130 0.95730 0.01773 S2 0.12810 0.57320 0.79010 0.01646 S3 0.44620 0.07710 0.76230 0.01773 O1 0.08400 0.31360 0.97200 0.02913 O2 0.40800 0.28430 0.16400 0.03293 O3 0.18600 0.22100 0.87100 0.03166 O4 0.39300 0.30720 0.81000 0.02786 O5 0.22900 0.52880 0.70100 0.03420 O6 0.05900 0.61120 0.63700 0.03040 O7 0.05100 0.44980 0.11900 0.02533 O8 0.30100 0.60710 0.96000 0.03673 O9 0.33400 0.03160 0.85200 0.03546 O10 0.43900 0.87900 0.07200 0.03166 O11 0.40000 0.94440 0.35600 0.03166 O12 0.27400 0.10220 0.62000 0.03420 Wat1 0.05200 0.18600 0.45300 0.03040 Wat2 0.43100 0.15330 0.29200 0.03673 Wat3 0.01000 0.13250 0.04500 0.02533 Wat4 0.20000 0.03900 0.21000 0.02913 Wat5 0.16000 0.92770 0.65300 0.02786 Wat6 0.28300 0.42280 0.81700 0.03040 Wat7 0.23200 0.65910 0.34300 0.02280 Wat8 0.37200 0.36990 0.44900 0.02786 Wat9 0.33300 0.54190 0.32200 0.03420 Wat10 0.36600 0.78540 0.37000 0.04939 Wat11 0.17900 0.75060 0.79400 0.04559