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: K2Mg(SO4)2.4H2O, T = 293 K ; _database_code_amcsd 0002729 _chemical_formula_sum 'K2 Mg S2 O12 H8' _cell_length_a 11.769 _cell_length_b 9.539 _cell_length_c 9.889 _cell_angle_alpha 90 _cell_angle_beta 95.31 _cell_angle_gamma 90 _cell_volume 1105.419 _exptl_crystal_density_diffrn 2.203 _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 0.16767 0.26354 0.24969 1.00000 0.02610 Mg1 0.00000 0.00000 0.00000 1.00000 0.01400 Mg2 0.00000 0.50000 0.50000 1.00000 0.01300 S1 0.20760 0.50000 -0.04326 1.00000 0.01310 S2 0.21123 0.00000 -0.48090 1.00000 0.01300 O1 0.15910 0.37360 -0.11370 1.00000 0.02340 O2A 0.15210 0.09800 -0.40090 0.50000 0.02430 O2B 0.17370 0.14670 -0.45160 0.50000 0.02650 O3 0.16900 0.00000 0.05410 1.00000 0.03120 O4 0.18190 0.50000 0.09740 1.00000 0.03160 O5 0.16520 0.50000 0.43900 1.00000 0.02060 O6 0.18870 0.02340 0.37350 0.50000 0.02540 Ow1 0.04000 0.34280 -0.35860 1.00000 0.01900 Ow2 0.00000 0.21830 0.00000 1.00000 0.02730 Ow3 0.01490 0.00000 -0.20880 1.00000 0.02910 H1 0.07500 0.27700 -0.38800 1.00000 0.03300 H2 0.07900 0.35900 -0.28200 1.00000 0.04100 H3 0.04700 0.27100 -0.02700 1.00000 0.05000 H4 0.06800 0.00000 -0.25600 1.00000 0.06900 H5 -0.03900 0.00000 -0.26000 1.00000 0.03600