data_global _amcsd_formula_title 'K2Zn(SO4)2(H2O)6' loop_ _publ_author_name 'Bosi F' 'Belardi G' 'Ballirano P' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 74 _journal_page_last 82 _publ_section_title ; Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn ; _database_code_amcsd 0004781 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K2 Zn S2 O14 H12' _cell_length_a 9.0449 _cell_length_b 12.2213 _cell_length_c 6.1592 _cell_angle_alpha 90 _cell_angle_beta 104.775 _cell_angle_gamma 90 _cell_volume 658.328 _exptl_crystal_density_diffrn 2.239 _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 K 0.13362 0.34570 0.34310 0.02896 ZnM 0.00000 0.00000 0.00000 0.01671 S 0.41199 0.13524 0.72669 0.01703 O1 0.40790 0.23002 0.57700 0.03270 O2 0.55620 0.07600 0.75280 0.03880 O3 0.28410 0.06149 0.62060 0.02320 O4 0.39540 0.17307 0.94770 0.02550 OW1 0.16990 0.11285 0.16670 0.02320 OW2 -0.17020 0.11474 0.03520 0.02220 OW3 -0.00230 -0.06799 0.30000 0.02250 H11 0.19900 0.09500 0.29200 0.03900 H12 0.23000 0.12100 0.10500 0.03800 H21 -0.24500 0.10000 -0.05300 0.04700 H22 -0.14900 0.17300 0.00300 0.05700 H31 -0.08400 -0.06300 0.33700 0.06700 H32 0.03100 -0.12700 0.32900 0.05000 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 K 0.03110 0.02990 0.02810 -0.00250 0.01150 -0.00030 ZnM 0.01640 0.01722 0.01629 -0.00150 0.00369 0.00033 S 0.01540 0.01830 0.01740 -0.00260 0.00420 -0.00140 O1 0.05060 0.02380 0.02280 -0.01230 0.00760 0.00300 O2 0.01870 0.05180 0.04300 0.01000 0.00230 -0.01040 O3 0.01890 0.02600 0.02550 -0.00780 0.00700 -0.00680 O4 0.03390 0.02570 0.01900 -0.00330 0.01030 -0.00460 OW1 0.02090 0.02710 0.02100 -0.00650 0.00420 -0.00040 OW2 0.01990 0.02190 0.02480 0.00050 0.00560 0.00010 OW3 0.02720 0.02200 0.02060 0.00250 0.01040 0.00190