data_global _chemical_name_mineral 'Leonite' loop_ _publ_author_name 'Hertweck B' 'Giester G' 'Libowitzky E' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 1282 _journal_page_last 1292 _publ_section_title ; The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K ; _database_code_amcsd 0002730 _chemical_formula_sum 'K2 Mn S2 O12 H8' _cell_length_a 12.031 _cell_length_b 9.531 _cell_length_c 9.902 _cell_angle_alpha 90 _cell_angle_beta 95.02 _cell_angle_gamma 90 _cell_volume 1131.082 _exptl_crystal_density_diffrn 2.333 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-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 K1 0.16965 0.26768 0.23973 0.00960 K2 0.16992 -0.25782 0.25852 0.00930 Mn1 0.00000 0.00000 0.00000 0.00590 Mn2 0.00000 0.50000 0.50000 0.00570 S1 0.20732 0.50477 -0.04519 0.00590 S2 0.21252 -0.00747 -0.48027 0.00570 O1A -0.15340 0.37240 0.11630 0.01030 O1B 0.16330 0.37390 -0.11120 0.01120 O2A 0.14930 0.09080 -0.40020 0.01020 O2B 0.17910 -0.15280 -0.45450 0.01100 O3 0.17250 0.01270 0.06110 0.01490 O4 0.18530 0.50620 0.09730 0.01250 O5 0.16740 0.50890 0.43420 0.00900 O6 0.19310 0.02270 0.37410 0.01080 Ow1A -0.03420 0.33160 0.35370 0.00940 Ow1B 0.04310 0.33470 -0.35160 0.00960 Ow2 -0.00510 0.22790 -0.01310 0.01450 Ow3 0.01110 -0.01030 -0.21980 0.01330 H1A -0.07000 0.27100 0.38700 0.02000 H2A -0.07400 0.35100 0.27500 0.02900 H1B 0.07400 0.26500 -0.38000 0.02100 H2B 0.08100 0.35200 -0.27900 0.03200 H3A -0.04900 0.28000 0.02500 0.03100 H3B 0.04300 0.27400 -0.03700 0.03400 H4 0.06000 0.00800 -0.26700 0.02600 H5 -0.04400 -0.01400 -0.27100 0.02300