data_global _chemical_name_mineral 'Butlerite' loop_ _publ_author_name 'Fanfani L' 'Nunzi A' 'Zanazzi P F' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 751 _journal_page_last 757 _publ_section_title ; The crystal structure of butlerite ; _database_code_amcsd 232 _chemical_formula_sum 'Fe S O7 H3' _cell_length_a 6.5 _cell_length_b 7.37 _cell_length_c 5.84 _cell_angle_alpha 90.0 _cell_angle_beta 108.38 _cell_angle_gamma 90.0 _cell_volume 265.493 _exptl_crystal_density_diffrn 2.539 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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 Fe 0.0 0.0 0.0 0.01203 S 0.3809 0.25 0.353 0.01418 O1 0.2476 0.0885 0.2697 0.02064 O2 0.4559 0.25 0.6098 0.02166 O3 0.5587 0.25 0.263 0.04471 O-H4 0.1023 0.75 0.0886 0.01912 O-H5 0.1844 0.0133 0.7647 0.03736