data_global _amcsd_formula_title 'K2Co(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 0004778 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K2 Co S2 O14 H12' _cell_length_a 9.0609 _cell_length_b 12.2156 _cell_length_c 6.1586 _cell_angle_alpha 90 _cell_angle_beta 104.839 _cell_angle_gamma 90 _cell_volume 658.927 _exptl_crystal_density_diffrn 2.204 _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 0.13269 0.34534 0.34159 0.02916 CoM 0.00000 0.00000 0.00000 0.01471 S 0.41148 0.13499 0.72532 0.01711 O1 0.40752 0.23005 0.57510 0.03190 O2 0.55540 0.07588 0.75170 0.03870 O3 0.28472 0.06080 0.61890 0.02320 O4 0.39463 0.17267 0.94640 0.02600 OW1 0.17019 0.11228 0.16650 0.02330 OW2 -0.17045 0.11495 0.03400 0.02220 OW3 -0.00388 -0.06892 0.30000 0.02260 H11 0.20500 0.09100 0.29000 0.03500 H12 0.23800 0.12100 0.10200 0.04800 H21 -0.25400 0.10400 -0.05000 0.05800 H22 -0.14700 0.17600 -0.00100 0.04800 H31 -0.07200 -0.06000 0.34600 0.06100 H32 0.02400 -0.13000 0.33300 0.05700 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 0.03010 0.03040 0.02903 -0.00223 0.01121 -0.00041 CoM 0.01264 0.01578 0.01555 -0.00105 0.00331 0.00029 S 0.01455 0.01910 0.01763 -0.00239 0.00404 -0.00191 O1 0.04620 0.02420 0.02440 -0.01190 0.00740 0.00230 O2 0.01760 0.05230 0.04270 0.00960 0.00130 -0.01030 O3 0.01890 0.02460 0.02650 -0.00760 0.00680 -0.00510 O4 0.03550 0.02500 0.01890 -0.00390 0.00960 -0.00340 OW1 0.02010 0.02770 0.02070 -0.00680 0.00280 -0.00040 OW2 0.01770 0.02140 0.02740 0.00110 0.00580 0.00040 OW3 0.02700 0.02170 0.02150 0.00340 0.01070 0.00360