data_global _chemical_name_mineral 'Amarantite' loop_ _publ_author_name 'Susse P' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 127 _journal_year 1968 _journal_page_first 261 _journal_page_last 275 _publ_section_title ; The crystal structure of amarantite, Fe2(SO4)2O*7H2O ; _database_code_amcsd 0010666 _chemical_compound_source 'Quetena, Chile' _chemical_formula_sum 'Fe S O8 H7' _cell_length_a 8.976 _cell_length_b 11.678 _cell_length_c 6.698 _cell_angle_alpha 95.65 _cell_angle_beta 90.36 _cell_angle_gamma 97.20 _cell_volume 693.052 _exptl_crystal_density_diffrn 2.137 _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 Fel 0.91280 0.93610 0.14420 0.02406 Fe2 0.92590 0.23690 0.22500 0.02533 S1 0.83220 0.65080 0.07940 0.00507 S2 0.21130 0.93250 0.44610 0.00507 O1 0.02500 0.34150 0.03530 0.02153 O2 0.29300 0.40660 0.04730 0.02026 O3 0.80380 0.77190 0.14650 0.01267 O4 0.85230 0.59310 0.25900 0.02153 O5 0.83210 0.96300 0.43410 0.00887 O6 0.78090 0.16090 0.41820 0.01646 O7 0.35420 0.95890 0.35370 0.01900 O8 0.09190 0.88890 0.29220 0.01140 O9 0.98630 0.09550 0.11190 0.00887 O10 0.53550 0.77860 0.39710 0.02406 O11 0.88310 0.38720 0.39450 0.02153 O12 0.73750 0.23330 0.04820 0.02280 O13 0.28150 0.62490 0.26160 0.02406 O14 0.70390 0.96060 0.02720 0.01900 O15 0.45510 0.23390 0.18790 0.02660 O16 0.11500 0.25190 0.40850 0.01393 H1 0.88000 0.46000 0.32000 ? H2 0.82000 0.38000 0.52000 ? H3 0.64000 0.21000 0.12000 ? H4 0.73000 0.31000 0.03000 ? H5 0.62000 0.78000 0.30000 ? H6 0.51000 0.86000 0.39000 ? H7 0.29000 0.54000 0.20000 ? H8 0.38000 0.65000 0.34000 ? H9 0.35000 0.11000 0.05000 ? H10 0.32000 0.97000 0.05000 ? H11 0.46000 0.23000 0.32000 ? H12 0.42000 0.29000 0.16000 ? H13 0.13000 0.18000 0.44000 ? H14 0.12000 0.30000 0.52000 ?