data_global _amcsd_formula_title 'K2Ni(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 0004779 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K2 Ni S2 O14 H12' _cell_length_a 9.0049 _cell_length_b 12.1904 _cell_length_c 6.1368 _cell_angle_alpha 90 _cell_angle_beta 105.047 _cell_angle_gamma 90 _cell_volume 650.559 _exptl_crystal_density_diffrn 2.231 _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 0.13415 0.34561 0.34287 0.02864 NiM 0.00000 0.00000 0.00000 0.01387 S 0.41182 0.13508 0.72625 0.01642 O1 0.40933 0.22977 0.57470 0.03050 O2 0.55685 0.07498 0.75630 0.03740 O3 0.28357 0.06140 0.61860 0.02230 O4 0.39398 0.17389 0.94720 0.02570 OW1 0.16694 0.11095 0.16300 0.02140 OW2 -0.16659 0.11244 0.03560 0.02040 OW3 0.00028 -0.06662 0.30160 0.02070 H11 0.20400 0.08700 0.29200 0.03200 H12 0.22300 0.12200 0.09500 0.04400 H21 -0.24900 0.10200 -0.05100 0.04800 H22 -0.14900 0.17400 -0.00500 0.04200 H31 -0.06500 -0.06400 0.32800 0.07500 H32 0.02800 -0.13500 0.32800 0.06400 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 0.03046 0.02950 0.02847 -0.00189 0.01221 -0.00026 NiM 0.01271 0.01479 0.01434 -0.00095 0.00391 0.00014 S 0.01451 0.01763 0.01711 -0.00207 0.00410 -0.00185 O1 0.04660 0.02210 0.02360 -0.01010 0.01030 0.00210 O2 0.01720 0.04860 0.04290 0.00900 0.00170 -0.00960 O3 0.01920 0.02380 0.02480 -0.00800 0.00730 -0.00490 O4 0.03550 0.02570 0.01770 -0.00350 0.01000 -0.00350 OW1 0.02000 0.02450 0.01910 -0.00610 0.00430 -0.00130 OW2 0.01770 0.01910 0.02460 0.00070 0.00610 -0.00050 OW3 0.02520 0.01970 0.01950 0.00130 0.01000 0.00280