data_global _chemical_name_mineral 'Mikasaite' loop_ _publ_author_name 'Christidis P C' 'Rentzeperis P J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 144 _journal_year 1976 _journal_page_first 341 _journal_page_last 352 _publ_section_title ; The crystal structure of rhombohedral Fe2(SO4)3 ; _database_code_amcsd 0010786 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe2 S3 O12' _cell_length_a 8.2362 _cell_length_b 8.2362 _cell_length_c 22.1786 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1302.922 _exptl_crystal_density_diffrn 3.058 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Fe1 0.00000 0.00000 0.14411 0.00342 Fe2 0.00000 0.00000 0.35070 0.00393 S 0.29044 0.28818 0.25072 0.00342 O1 0.19430 0.20480 0.19382 0.00823 O2 0.22400 0.14560 0.29843 0.00937 O3 0.49220 0.36340 0.24358 0.00532 O4 0.25270 0.43930 0.26590 0.00811 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 Fe1 0.00437 0.00437 0.00266 0.00218 0.00000 0.00000 Fe2 0.00426 0.00426 0.00339 0.00215 0.00000 0.00000 S 0.00321 0.00354 0.00357 0.00118 0.00039 -0.00120 O1 0.00850 0.00940 0.00660 0.00260 -0.00500 -0.00720 O2 0.00840 0.01010 0.00980 0.00430 0.00710 0.00820 O3 0.00160 0.00730 0.00700 0.00140 0.00260 -0.00100 O4 0.00750 0.00520 0.01170 0.00510 -0.00230 -0.00520