data_global _chemical_name_mineral 'Yavapaiite' loop_ _publ_author_name 'Graeber E J' 'Rosenzweig A' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 1917 _journal_page_last 1933 _publ_section_title ; The crystal structures of yavapaiite, KFe(SO4)2, and goldichite, KFe(SO4)2.4H2O ; _database_code_amcsd 0000263 _chemical_formula_sum 'Fe K S2 O8' _cell_length_a 8.152 _cell_length_b 5.153 _cell_length_c 7.877 _cell_angle_alpha 90 _cell_angle_beta 94.90 _cell_angle_gamma 90 _cell_volume 329.682 _exptl_crystal_density_diffrn 2.892 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.00000 0.00000 0.00000 K 0.00000 0.00000 0.50000 S 0.37010 0.00000 0.20200 O1 0.23710 0.00000 0.06260 O2 0.31280 0.00000 0.37020 O3 0.47410 0.23250 0.18070 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 0.00912 0.00456 0.01165 0.00000 -0.00089 0.00000 K 0.02824 0.02254 0.01330 0.00000 0.00367 0.00000 S 0.00849 0.00393 0.00887 0.00000 0.00127 0.00000 O1 0.00950 0.01368 0.01799 0.00000 -0.00241 0.00000 O2 0.02457 0.02900 0.01317 0.00000 0.00874 0.00000 O3 0.01912 0.00886 0.01836 -0.00697 -0.00519 0.00545