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 = 293 K ; _database_code_amcsd 0002732 _chemical_formula_sum 'K2 Mn S2 O12 H8' _cell_length_a 12.017 _cell_length_b 9.594 _cell_length_c 9.949 _cell_angle_alpha 90 _cell_angle_beta 95.03 _cell_angle_gamma 90 _cell_volume 1142.614 _exptl_crystal_density_diffrn 2.310 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv K 0.17022 0.26326 0.24936 1.00000 0.02810 Mn1 0.00000 0.00000 0.00000 1.00000 0.01540 Mn2 0.00000 0.50000 0.50000 1.00000 0.01490 S1 0.20695 0.50000 -0.04418 1.00000 0.01500 S2 0.21077 0.00000 -0.47979 1.00000 0.01500 O1 0.15880 0.37430 -0.11290 1.00000 0.02740 O2A 0.15190 0.09730 -0.40130 0.50000 0.02710 O2B 0.17230 0.14570 -0.45200 0.50000 0.02990 O3 0.17280 0.00000 0.05940 1.00000 0.03810 O4 0.18410 0.50000 0.09650 1.00000 0.03550 O5 0.16860 0.50000 0.43540 1.00000 0.02320 O6 0.19180 0.02360 0.37540 0.50000 0.02890 Ow1 0.03870 0.33510 -0.35190 1.00000 0.02220 Ow2 0.00000 0.22670 0.00000 1.00000 0.03330 Ow3 0.01040 0.00000 -0.21940 1.00000 0.03290 H1 0.07200 0.27600 -0.37900 1.00000 0.03300 H2 0.07900 0.34900 -0.27400 1.00000 0.03700 H3 0.04300 0.27200 -0.03000 1.00000 0.04100 H4 0.06100 0.00000 -0.25700 1.00000 0.06000 H5 -0.04100 0.00000 -0.27200 1.00000 0.05800