data_global _chemical_name_mineral 'Amarantite' loop_ _publ_author_name 'Giacovazzo C' 'Menchetti S' _journal_name_full 'Rendiconti della Societa Italiana di Mineralogia e Petrologia' _journal_volume 25 _journal_year 1969 _journal_page_first 399 _journal_page_last 406 _publ_section_title ; Sulla struttura della amarantite ; _database_code_amcsd 0021027 _chemical_compound_source 'not given' _chemical_formula_sum 'Fe S O8 H7' _cell_length_a 8.935 _cell_length_b 11.631 _cell_length_c 6.661 _cell_angle_alpha 95.58 _cell_angle_beta 90.28 _cell_angle_gamma 97.28 _cell_volume 683.293 _exptl_crystal_density_diffrn 2.167 _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 0.91260 0.93610 0.14350 0.01900 Fe2 0.92610 0.23690 0.22570 0.01900 S1 0.83280 0.65060 0.07890 0.01520 S2 0.21150 0.93230 0.44650 0.01267 O1 0.02630 0.34280 0.03540 0.02533 O2 0.29360 0.40620 0.04930 0.03040 O3 0.80210 0.77180 0.14770 0.02026 O4 0.85260 0.59300 0.25720 0.02280 O5 0.83060 0.96310 0.43270 0.02026 O6 0.78070 0.15980 0.41970 0.02026 O7 0.35470 0.95880 0.35570 0.02406 O8 0.09270 0.88880 0.29400 0.02280 O9 0.98560 0.09440 0.11010 0.01646 Wat10 0.53710 0.77770 0.40000 0.03673 Wat11 0.88520 0.38600 0.39060 0.02913 Wat12 0.73870 0.23380 0.04810 0.02786 Wat13 0.28160 0.62660 0.26400 0.03293 Wat14 0.70410 0.96030 0.02650 0.02533 Wat15 0.45610 0.23350 0.18560 0.03546 Wat16 0.11370 0.25080 0.40850 0.02406